cycloguanil [Ligand Id: 10027] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL747 (Cycloguanil, Malarone)
  • Dihydrofolate reductase in Escherichia coli [ChEMBL: CHEMBL5441] [UniProtKB: B0BL08]
  • Dihydrofolate reductase in Lactobacillus casei [ChEMBL: CHEMBL2902] [UniProtKB: P00381]
  • Dihydrofolate reductase in Pneumocystis carinii [ChEMBL: CHEMBL1926] [UniProtKB: P16184]
  • Dihydrofolate reductase in Plasmodium falciparum K1 [ChEMBL: CHEMBL1939] [UniProtKB: P13922]
  • Dihydrofolate reductase in Chicken [ChEMBL: CHEMBL2575] [UniProtKB: P00378]
  • dihydrofolate reductase/Dihydrofolate reductase in Human [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374]
  • dihydrofolate reductase/Dihydrofolate reductase in Rat [ChEMBL: CHEMBL2363] [GtoPdb: 2603] [UniProtKB: Q920D2]
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  • Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum TM90C2A [GtoPdb: 2981]
  • Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum K1 [GtoPdb: 2981]
  • Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum NF54 [GtoPdb: 2981]
  • Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum 7G8 [GtoPdb: 2981]
  • Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum D6 [GtoPdb: 2981]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Dihydrofolate reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5441] [UniProtKB: B0BL08]
ChEMBL Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry B 4.93 pKd 11770 nM Kd Eur. J. Med. Chem. (2015) 103: 600-614 [PMID:26414808]
ChEMBL Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis B 5.99 pKi 1020 nM Ki Eur. J. Med. Chem. (2015) 103: 600-614 [PMID:26414808]
ChEMBL Inhibition of Escherichia coli DHFR assessed as NADP formation B 4.68 pIC50 20910 nM IC50 Eur. J. Med. Chem. (2015) 103: 600-614 [PMID:26414808]
Dihydrofolate reductase in Lactobacillus casei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2902] [UniProtKB: P00381]
ChEMBL Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) B 4.76 pKi 17378.01 nM Ki J. Med. Chem. (1984) 27: 129-143 [PMID:6420569]
Dihydrofolate reductase in Pneumocystis carinii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1926] [UniProtKB: P16184]
ChEMBL Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. B 6.96 pKi 109.65 nM Ki J. Med. Chem. (1995) 38: 967-972 [PMID:7699713]
ChEMBL Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase B 7.63 pKi 23.3 nM Ki J. Med. Chem. (1995) 38: 4739-4759 [PMID:7490723]
ChEMBL Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii at 37 centigrade. B 6.35 pIC50 450 nM IC50 J. Med. Chem. (1995) 38: 4739-4759 [PMID:7490723]
Dihydrofolate reductase in Plasmodium falciparum K1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1939] [UniProtKB: P13922]
ChEMBL Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations B 5.67 pKi 2130 nM Ki J. Med. Chem. (2003) 46: 2834-2845 [PMID:12825927]
ChEMBL Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum. B 5.88 pKi 1314 nM Ki J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum B 5.88 pKi 1314 nM Ki J. Med. Chem. (2000) 43: 2738-2744 [PMID:10893311]
ChEMBL Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations B 5.94 pKi 1140 nM Ki J. Med. Chem. (2003) 46: 2834-2845 [PMID:12825927]
ChEMBL Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations B 6.14 pKi 730 nM Ki J. Med. Chem. (2003) 46: 2834-2845 [PMID:12825927]
ChEMBL Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation B 6.24 pKi 570 nM Ki J. Med. Chem. (2003) 46: 2834-2845 [PMID:12825927]
ChEMBL Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum B 6.38 pKi 420 nM Ki J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum B 6.55 pKi 285 nM Ki J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS. B 7.09 pKi 82.1 nM Ki J. Med. Chem. (1998) 41: 1367-1370 [PMID:9554869]
ChEMBL Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum B 7.5 pKi 31.4 nM Ki J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS. B 8.59 pKi 2.6 nM Ki J. Med. Chem. (1998) 41: 1367-1370 [PMID:9554869]
ChEMBL Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase) B 8.59 pKi 2.6 nM Ki J. Med. Chem. (2003) 46: 2834-2845 [PMID:12825927]
ChEMBL Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation B 8.8 pKi 1.6 nM Ki J. Med. Chem. (2003) 46: 2834-2845 [PMID:12825927]
ChEMBL Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. B 8.82 pKi 1.5 nM Ki J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparum B 8.82 pKi 1.5 nM Ki J. Med. Chem. (2000) 43: 2738-2744 [PMID:10893311]
ChEMBL Inhibition constant against Plasmodium falciparum dihydrofolate reductase B 8.96 pKi 1.1 nM Ki J. Med. Chem. (2004) 47: 4258-4267 [PMID:15293997]
ChEMBL In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase CN51I/C59R/S108N/I164L (V1/S) mutant F 4 pIC50 >100000 nM IC50 J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R+S108N/I164L (Csl-2) mutant F 4.42 pIC50 37900 nM IC50 J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase N51I/C59R/S108N (W2) F 5.24 pIC50 5800 nM IC50 J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase A16V/S108T (T9/94RC17) mutant F 5.43 pIC50 3700 nM IC50 J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R/S108N (K1CB1) mutant F 5.62 pIC50 2400 nM IC50 J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
ChEMBL In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase wild type (TM4/8.2) F 7.4 pIC50 40 nM IC50 J. Med. Chem. (2004) 47: 673-680 [PMID:14736247]
Dihydrofolate reductase in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2575] [UniProtKB: P00378]
ChEMBL Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) B 6.95 pKi 112.2 nM Ki J. Med. Chem. (1984) 27: 129-143 [PMID:6420569]
dihydrofolate reductase/Dihydrofolate reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374]
ChEMBL Inhibition of human DHFR B 4.37 pKi 43000 nM Ki Eur J Med Chem (2017) 135: 467-478 [PMID:28477572]
ChEMBL Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis B 6.39 pKi 410 nM Ki Eur J Med Chem (2017) 135: 467-478 [PMID:28477572]
ChEMBL Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay B 7.25 pKi 55.6 nM Ki Antimicrob. Agents Chemother. (2010) 54: 2603-2610 [PMID:20350951]
dihydrofolate reductase/Dihydrofolate reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2363] [GtoPdb: 2603] [UniProtKB: Q920D2]
ChEMBL Inhibitory activity against dihydrofolate reductase in rat liver. B 6.96 pIC50 110 nM IC50 J. Med. Chem. (1995) 38: 4739-4759 [PMID:7490723]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antimicrobial activity against Plasmodium falciparum F 5.52 pIC50 3000 nM IC50 Bioorg. Med. Chem. (2010) 18: 2225-2231 [PMID:20185316]
ChEMBL Inhibition of Plasmodium falciparum T9/94 mutant F 5.61 pIC50 2430 nM IC50 J. Med. Chem. (2000) 43: 2738-2744 [PMID:10893311]
ChEMBL Inhibitory activity against Plasmodium falciparum Dd2 in erythrocytes F 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 423-424 [PMID:11212126]
ChEMBL Inhibitory concentration against multidrug-resistant Plasmodium falciparum Dd2. F 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2002) 12: 2681-2683 [PMID:12217353]
ChEMBL Inhibitory activity against Plasmodium falciparum Dd2 in erythrocytes by semiautomated micro dilution F 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 361-363 [PMID:12565929]
ChEMBL Inhibition against Plasmodium falciparum Dd2 in erythrocytes in semiautomated micro dilution assay F 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 2159-2161 [PMID:12798326]
ChEMBL Anti-malarial activity against Plasmodium falciparum Dd2 F 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 1539-1541 [PMID:12699750]
ChEMBL Antimalarial activity against Plasmodium falciparum Dd2 in erythrocytes F 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2002) 12: 543-545 [PMID:11844668]
ChEMBL Antiplasmodial activity against chloroquine/cycloguanil/pyrimethamine-resistant blood stage Plasmodium falciparum K1 by SYBR green 1 staining based fluorescence assay F 6.27 pIC50 540 nM IC50 J Nat Prod (2018) 81: 188-202 [PMID:29297684]
ChEMBL Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR F57L, S58R, T61M, S117T mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 6.49 pIC50 320 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Antiplasmodial activity against Plasmodium falciparum harboring K1 allele group of msp1, 3D7 allele group of msp2 gene and 94 bp of 7A11, 196bp of C4M79 and 336bp of C4M69 locus measured on day 23 by [3H]hypoxanthine incorporation assay F 6.6 pIC50 250 nM IC50 Antimicrob. Agents Chemother. (2008) 52: 2283-2284 [PMID:18411319]
ChEMBL Antimalarial activity against Plasmodium falciparum TM91c235 harboring DHFR F57L, S58R, T61M, S117T mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 6.93 pIC50 116.4 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Growth inhibition (IC50) against Plasmodium falciparum wild-type TM4/8.2 F 7.4 pIC50 40 nM IC50 J. Med. Chem. (2000) 43: 2738-2744 [PMID:10893311]
ChEMBL Antiplasmodial activity against drug-sensitive blood stage Plasmodium falciparum 3D7 by SYBR green 1 staining based fluorescence assay F 8 pIC50 10 nM IC50 J Nat Prod (2018) 81: 188-202 [PMID:29297684]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 in erythrocytes F 8.12 pIC50 7.5 nM IC50 Bioorg. Med. Chem. Lett. (2002) 12: 543-545 [PMID:11844668]
ChEMBL Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR F57L and S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 8.56 pIC50 2.77 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR S58R and S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 8.77 pIC50 1.7 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 9.09 pIC50 0.81 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax DHFR S58R, T61M and S117N mutant infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 9.23 pIC50 0.59 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium vivax wild type DHFR infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 9.37 pIC50 0.43 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Antimalarial activity against Plasmodium falciparum D6 infected in RBCs assessed as inhibition of [3H]hypoxanthine incorporation after 72 hrs F 9.93 pIC50 0.12 nM IC50 Antimicrob. Agents Chemother. (2010) 54: 3927-3932 [PMID:20566761]
ChEMBL Antiplasmodial activity against chloroquine and antifolate-sensitive Plasmodium falciparum TM4 after 24 hrs by [3H]-hypoxanthine incorporation assay F 7.42 pEC50 38 nM EC50 Bioorg. Med. Chem. Lett. (2013) 23: 2829-2843 [PMID:23587422]
TAAR5/Trace amine-associated receptor 5 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3784908] [GtoPdb: 170] [UniProtKB: Q5QD14]
ChEMBL Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay B 5 pEC50 >10000 nM EC50 Eur J Med Chem (2017) 127: 781-792 [PMID:27823885]
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum TM90C2A [GtoPdb: 2981]
GtoPdb Parasite growth inhibition assay - 5.37 pIC50 4261.7 nM IC50 PLoS Med. (2012) 9: e1001169 [PMID:22363211]
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum K1 [GtoPdb: 2981]
GtoPdb Parasite growth inhibition assay - 6.35 pIC50 445 nM IC50 PLoS Med. (2012) 9: e1001169 [PMID:22363211]
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum NF54 [GtoPdb: 2981]
GtoPdb Parasite growth inhibition assay - 8.35 pIC50 4.5 nM IC50 PLoS Med. (2012) 9: e1001169 [PMID:22363211]
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum 7G8 [GtoPdb: 2981]
GtoPdb Parasite growth inhibition assay - 6.44 pIC50 365.7 nM IC50 PLoS Med. (2012) 9: e1001169 [PMID:22363211]
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum D6 [GtoPdb: 2981]
GtoPdb Parasite growth inhibition assay - 8.77 pIC50 1.7 nM IC50 PLoS Med. (2012) 9: e1001169 [PMID:22363211]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]