modafinil [Ligand Id: 7555] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1373 (CEP 1538, CEP-1538, CRC-40476, CRL 40476, CRL-40476, DEP-1538, Modafinil, Modafinil civ, Modafinilo, Modaphonil, Modiodal, NSC-751178, NSC-759110, Provigil, THN-102 COMPONENT MODAFINIL, THN102 COMPONENT MODAFINIL) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Displacement of [3H]-N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method | B | 4 | pKi | >100000 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Displacement of [3H]-N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method | B | 4.41 | pKi | 39000 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Displacement of [3H]-N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method | B | 4 | pKi | >100000 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
| ChEMBL | Binding affinity to wild type human DAT expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis | B | 4.89 | pKi | 13000 | nM | Ki | J Med Chem (2014) 57: 1000-1013 [PMID:24494745] |
| ChEMBL | Binding affinity to human DAT A480T mutant expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis | B | 5.51 | pKi | 3090 | nM | Ki | J Med Chem (2014) 57: 1000-1013 [PMID:24494745] |
| ChEMBL | Binding affinity to DAT (unknown origin) | B | 5.7 | pKi | 2000 | nM | Ki | J Med Chem (2016) 59: 10676-10691 [PMID:27933960] |
| ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.84 | pKi | 1456 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assay | B | 6.03 | pKi | 927 | nM | Ki | J Med Chem (2016) 59: 10676-10691 [PMID:27933960] |
| ChEMBL | Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after 1 min by liquid scintillation counting | B | 4.94 | pIC50 | 11500 | nM | IC50 | J Med Chem (2017) 60: 9330-9348 [PMID:29091428] |
| ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.74 | pIC50 | 1832 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
| ChEMBL | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method | B | 5.09 | pKi | 8160 | nM | Ki | J Med Chem (2020) 63: 2343-2357 [PMID:31661268] |
| ChEMBL | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatal membranes incubated for 120 mins by microbeta scintillation counting method | B | 5.09 | pKi | 8160 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| GtoPdb | Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings using [3H]dopamine as radioligand | - | 5.42 | pKi | 3800 | nM | Ki | J Med Chem (2004) 47: 5821-4 [PMID:15537337] |
| ChEMBL | Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand | B | 5.42 | pKi | 3800 | nM | Ki | J Med Chem (2004) 47: 5821-5824 [PMID:15537337] |
| ChEMBL | Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting analysis | B | 5.59 | pKi | 2600 | nM | Ki | J Med Chem (2014) 57: 1000-1013 [PMID:24494745] |
| ChEMBL | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes | B | 5.6 | pKi | 2520 | nM | Ki | ACS Med Chem Lett (2011) 2: 48-52 [PMID:21344069] |
| ChEMBL | Inhibition of rat DAT-mediated dopamine reuptake | B | 5.37 | pIC50 | 4300 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2312-2314 [PMID:22264475] |
| ChEMBL | Inhibition of rat DAT-mediated dopamine reuptake | B | 5.37 | pIC50 | 4300 | nM | IC50 | Eur J Med Chem (2012) 54: 949-951 [PMID:22749190] |
| ChEMBL | Inhibition of rat brain DAT assessed as reduction of [3H]-DA re-uptake preincubated for 30 mins followed by [3H]-DA addition measured after 5 mins by scintillation counting | B | 5.42 | pIC50 | >3800 | nM | IC50 | J Med Chem (2018) 61: 2133-2165 [PMID:28731336] |
| ChEMBL | Inhibition of rat DAT | B | 5.43 | pIC50 | 3700 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2312-2314 [PMID:22264475] |
| ChEMBL | Displacement of 3H-WIN-35428 from DAT in rat striata after 120 mins | B | 5.43 | pIC50 | 3700 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3751-3753 [PMID:22546675] |
| ChEMBL | Inhibition of rat DAT | B | 5.43 | pIC50 | 3700 | nM | IC50 | Eur J Med Chem (2012) 54: 949-951 [PMID:22749190] |
| Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4] | ||||||||
| ChEMBL | Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2004) 47: 5821-5824 [PMID:15537337] |
| ChEMBL | Inhibition of rat brain NET assessed as reduction of [3H]-NE re-uptake preincubated for 30 mins followed by [3H]-NE addition measured after 5 mins by scintillation counting | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2018) 61: 2133-2165 [PMID:28731336] |
| SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting method | B | 4.5 | pKi | 31300 | nM | Ki | J Med Chem (2020) 63: 2343-2357 [PMID:31661268] |
| ChEMBL | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting method | B | 4.5 | pKi | 31300 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380] | ||||||||
| ChEMBL | Inhibition of rat NET-mediated norepinephrine reuptake | B | 4.19 | pIC50 | 63900 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2312-2314 [PMID:22264475] |
| ChEMBL | Inhibition of rat NET-mediated norepinephrine reuptake | B | 4.19 | pIC50 | 63900 | nM | IC50 | Eur J Med Chem (2012) 54: 949-951 [PMID:22749190] |
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]
