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ChEMBL ligand: CHEMBL1294 ((8r,9s)-quinidine, .beta.-quinidine, Conquinine, Kinidin, Pitayine, Quinidine) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
ChEMBL | Inhibition of human BChE by Ellman's method | B | 5.91 | pIC50 | 1230 | nM | IC50 | Bioorg Med Chem (2012) 20: 6669-6679 [PMID:23062825] |
Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
ChEMBL | Inhibition of horse BChE by Ellman's method | B | 5.13 | pIC50 | 7370 | nM | IC50 | Bioorg Med Chem (2012) 20: 6669-6679 [PMID:23062825] |
CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
ChEMBL | Inhibition of human recombinant CYP2D6 | B | 8.09 | pIC50 | 8.1 | nM | IC50 | J Med Chem (2019) 62: 2750-2771 [PMID:30721053] |
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
ChEMBL | Inhibition of human ERG expressed in CHO cells by patch plate method | B | 5.57 | pIC50 | 2670 | nM | IC50 | J Med Chem (2016) 59: 264-281 [PMID:26640981] |
ChEMBL | Inhibition Assay: Briefly, the experiments were performed on an IonWorks™ HT instrument (Molecular Devices Corporation), which automatically performs electrophysiology measurements in 48 single cells simultaneously in a specialised 384-well plate (PatchPlate™). The cells used were Chinese hamster ovary (CHO) cells stably transfected with hERG. A single-cell suspension is prepared in extracellular solution (Dulbecco's phosphate buffered saline with calcium and magnesium pH 7-7.2) and aliquots added automatically to each well of a PatchPlate™. The cells were then positioned over a small hole at the bottom of each well by applying a vacuum beneath the plate to form an electrical seal. The vacuum was applied through a single compartment common to all wells which is filled with intracellular solution (buffered to pH 7.2 with HEPES). The resistance of each seal was measured via a common ground-electrode in the intracellular compartment and individual electrodes placed into each of the upper wells. Electrical access to the cell was achieved by circulating a perforating agent, amphotericin, underneath the PatchPlate™ and then measuring the pre-compound hERG current. An electrode was positioned in the extracellular compartment and a holding potential of −80 mV applied for 15 sec. The hERG channels were then activated by applying a depolarising step to +40 mV for 5 sec and then clamped at −50 mV for 4 sec to elicit the hERG tail current, before returning to −80 mV for 0.3 s. The test compound was then added at various concentrations (0.008, 0.04, 0.2, 1, 5 and 25 μM) to the upper wells of the PatchPlate™. The test compound was left in contact with the cells for 300 sec before recording currents using the same voltage-step protocol as in the pre-compound scan. Quinidine, an established hERG inhibitor, was included as a positive control. | B | 5.84 | pIC50 | 1440 | nM | IC50 | US-9402878-B2. Depsipeptide and uses thereof (2016) |
ChEMBL | Inhibition of human Potassium channel HERG expressed in mammalian cells | B | 6.49 | pIC50 | 323.59 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2773-2775 [PMID:12873512] |
ChEMBL | Inhibitory concentration against potassium channel HERG | B | 6.49 | pIC50 | 323.59 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2886-2890 [PMID:15911273] |
ChEMBL | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique | B | 6.49 | pIC50 | 323.59 | nM | IC50 | Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342] |
ChEMBL | Inhibition of hERG K channel | F | 6.52 | pIC50 | 300 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8] | ||||||||
ChEMBL | Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 4.95 | pIC50 | 11200 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells | F | 5.07 | pKi | 8590 | nM | Ki | Pharm Res (2002) 19: 765-772 [PMID:12134945] |
ChEMBL | Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model | B | 5.3 | pKi | 5000 | nM | Ki | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
ChEMBL | High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model | B | 5.59 | pKi | 2600 | nM | Ki | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
ChEMBL | TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells | F | 5.82 | pKi | 1500 | nM | Ki | Pharm Res (2001) 18: 171-176 [PMID:11405287] |
ChEMBL | TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cells | F | 6.37 | pKi | 430 | nM | Ki | Pharm Res (2003) 20: 161-168 [PMID:12636153] |
ChEMBL | TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells | F | 4.47 | pIC50 | 33900 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
ChEMBL | TP_TRANSPORTER: cell accumulation of calcein in L-MDR1 cells | F | 4.47 | pIC50 | 33800 | nM | IC50 | J Pharmacol Exp Ther (2003) 305: 197-204 [PMID:12649369] |
ChEMBL | TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | F | 4.73 | pIC50 | 18800 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | F | 5.25 | pIC50 | 5600 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 5.25 | pIC50 | 5600 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells | F | 5.66 | pIC50 | 2200 | nM | IC50 | Drug Metab Dispos (2000) 28: 655-660 [PMID:10820137] |
ChEMBL | Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC | F | 5.66 | pIC50 | 2200 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | F | 6 | pIC50 | 1000 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795] | ||||||||
ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1b-expressing LLC-PK1 cells | F | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447] | ||||||||
ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells | F | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antimicrobial activity against Plasmodium falciparum | F | 4.62 | pIC50 | 24000 | nM | IC50 | Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as reduction in parasite viability by parasite lactate dehydrogenase assay | F | 6.71 | pIC50 | 194.4 | nM | IC50 | Eur J Med Chem (2015) 100: 10-17 [PMID:26063305] |
ChEMBL | In vitro antimalarial activity against Plasmodium falciparum W2 in human erythrocytes by [3H]hypoxanthine uptake | F | 6.8 | pIC50 | 160 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 1351-1355 [PMID:11992775] |
ChEMBL | Antimalarial activity against chloroquine resistant Plasmodium falciparum Dd2 after 72 hrs by SYBP Green I dye staining | F | 7.05 | pIC50 | 90 | nM | IC50 | Bioorg Med Chem (2012) 20: 3292-3297 [PMID:22512909] |
ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 after 48 hrs by [G-3H]hypoxanthine uptake | F | 7.29 | pIC50 | 51 | nM | IC50 | Eur J Med Chem (2008) 43: 2840-2852 [PMID:18395298] |
ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 assessed as incorporation of [3H]hypoxanthine after 48 hr microdilution method | F | 7.29 | pIC50 | 51 | nM | IC50 | Med Chem Res (2007) 16: 213-229 |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as incorporation of [3H]hypoxanthine after 48 hr microdilution method | F | 7.68 | pIC50 | 21 | nM | IC50 | Med Chem Res (2007) 16: 213-229 |
ChEMBL | Antimalarial activity against chloroquine sensitive Plasmodium falciparum HB3 after 72 hrs by SYBP Green I dye staining | F | 7.74 | pIC50 | 18 | nM | IC50 | Bioorg Med Chem (2012) 20: 3292-3297 [PMID:22512909] |
ChEMBL | In vitro inhibition of parasite development of Plasmodium falciparum W2 in human erythrocytes | F | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 1351-1355 [PMID:11992775] |
ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay | F | 7.45 | pEC50 | 35.2 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | F | 8.02 | pEC50 | 9.59 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
Kv4.2/Potassium voltage-gated channel subfamily D member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075227] [GtoPdb: 553] [UniProtKB: Q63881] | ||||||||
GtoPdb | - | - | 4.9 | pIC50 | - | - | - | Br J Pharmacol (2003) 138: 1475-84 [PMID:12721103] |
ChEMBL | Inhibition of rat potassium channel Kv4.2 by patch-clamp method | B | 5.66 | pIC50 | 2200 | nM | IC50 | J Med Chem (2007) 50: 2818-2841 [PMID:17506538] |
Nav1.5/Sodium channel protein type V alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
ChEMBL | Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA | F | 4.78 | pIC50 | 16600 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
ChEMBL | Inhibition of human heart sodium channel Nav1.5 by patch-clamp method | B | 5.16 | pIC50 | 6900 | nM | IC50 | J Med Chem (2007) 50: 2818-2841 [PMID:17506538] |
Nav1.5 in Rat [GtoPdb: 582] [UniProtKB: P15389] | ||||||||
GtoPdb | - | - | 5 | pIC50 | - | - | - |
Mol Pharmacol (1989) 36: 150-9 [PMID:2546048]; J Pharmacol Exp Ther (1994) 268: 187-94 [PMID:8301556] |
Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | F | 4.76 | pKi | 17500 | nM | Ki | J Pharmacol Exp Ther (1998) 286: 354-361 [PMID:9655880] |
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells | F | 4.63 | pIC50 | 23400 | nM | IC50 | J Pharmacol Exp Ther (1999) 288: 1192-1198 [PMID:10027858] |
Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells | F | 4.84 | pKi | 14600 | nM | Ki | J Pharmacol Exp Ther (1998) 287: 800-805 [PMID:9808712] |
ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells | F | 5.22 | pKi | 6000 | nM | Ki | Naunyn Schmiedebergs Arch Pharmacol (1996) 354: 320-326 [PMID:8878062] |
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | F | 4.9 | pIC50 | 12700 | nM | IC50 | Am J Physiol Renal Physiol (2001) 281: F454-F468 [PMID:11502595] |
Organic cation transporter 2/Solute carrier family 22 member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770032] [GtoPdb: 1020] [UniProtKB: Q9R0W2] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells | F | 4.72 | pKi | 19100 | nM | Ki | J Pharmacol Exp Ther (1998) 287: 800-805 [PMID:9808712] |
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | F | 4.84 | pIC50 | 14600 | nM | IC50 | Am J Physiol Renal Physiol (2001) 281: F454-F468 [PMID:11502595] |
Solute carrier organic anion transporter family member 1A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781859] [UniProtKB: P46720] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells | F | 5.03 | pKi | 9270 | nM | Ki | Pharm Res (2002) 19: 147-153 [PMID:11883641] |
Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505] | ||||||||
ChEMBL | Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes | F | 4.81 | pIC50 | 15600 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 4.81 | pIC50 | 15600 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1940] [GtoPdb: 529] [UniProtKB: Q13936] | ||||||||
ChEMBL | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit | F | 4.7 | pIC50 | 19820 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002] | ||||||||
ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes | F | 5 | pIC50 | 10000 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
ChEMBL | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in rat ventricular myocytes | F | 5.25 | pIC50 | 5600 | nM | IC50 | IC50 data for the L-type calcium channel extracted from a set of literature articles |
Kv1.5/Voltage-gated potassium channel subunit Kv1.5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4306] [GtoPdb: 542] [UniProtKB: P22460] | ||||||||
GtoPdb | - | - | 5.2 | pKd | - | - | - | Mol Pharmacol (1992) 41: 322-30 [PMID:1538710] |
ChEMBL | Inhibition of human potassium channel Kv1.5 by patch-clamp method | B | 5.14 | pIC50 | 7300 | nM | IC50 | J Med Chem (2007) 50: 2818-2841 [PMID:17506538] |
KNa1.1 in Rat [GtoPdb: 385] [UniProtKB: Q9Z258] | ||||||||
GtoPdb | - | - | 4 | pIC50 | - | - | - |
Neuropharmacology (2006) 51: 896-906 [PMID:16876206]; J Neurosci (2003) 23: 11681-91 [PMID:14684870] |
Kv1.4 in Rat [GtoPdb: 541] [UniProtKB: P15385] | ||||||||
GtoPdb | - | - | 3.7 | pIC50 | - | - | - | Eur J Pharmacol (1995) 281: 151-9 [PMID:7589202] |
Kv1.7 in Human [GtoPdb: 544] [UniProtKB: Q96RP8] | ||||||||
GtoPdb | - | - | 4.8 | pKd | - | - | - | Eur J Hum Genet (2002) 10: 36-43 [PMID:11896454] |
Kv10.1 in Human [GtoPdb: 570] [UniProtKB: O95259] | ||||||||
GtoPdb | - | - | 5.8 | pIC50 | - | - | - | FEBS Lett (2002) 514: 204-8 [PMID:11943152] |
Kv10.2 in Human [GtoPdb: 571] [UniProtKB: Q8NCM2] | ||||||||
GtoPdb | - | - | 3.8 | pIC50 | - | - | - | Mol Pharmacol (2004) 65: 1120-9 [PMID:15102940] |
Plasma membrane monoamine transporter in Human [GtoPdb: 1120] [UniProtKB: Q7RTT9] | ||||||||
GtoPdb | - | - | 4.6 | pKi | 25300 | nM | Ki |
Mol Pharmacol (2005) 68: 1397-407 [PMID:16099839]; Clin Pharmacol Ther (2016) 100: 489-499 [PMID:27506881] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]