CIPARGAMIN

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Synonyms
Status
Molecule Category Free-form
UNII Z7Q4FWA04P
EPA CompTox DTXSID70152424

Structure

InChI Key CKLPLPZSUQEDRT-WPCRTTGESA-N
Smiles C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12
InChI
InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14Cl2FN3O
Molecular Weight 390.25
AlogP 4.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Polar Surface Area 56.92
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
P-type ATPase inhibitor INHIBITOR PubMed PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 44.9-52
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 44.9-52
Plasmodium falciparum
0.5-1 0.44-10.9 - - 50-50
Plasmodium falciparum 3D7
- 10 - - -
Plasmodium falciparum Dd2
- 0.6-4.5 - - -
Plasmodium falciparum K1
- 0.6 - - -
Plasmodium falciparum NF54
- 0.9 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1082723
DrugBank DB12306
FDA SRS Z7Q4FWA04P
Guide to Pharmacology 9721
PubChem 44469321
SureChEMBL SCHEMBL1306342
ZINC ZINC000049037032
CONTENTS