CIPARGAMIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z7Q4FWA04P

Structure
InChI Key CKLPLPZSUQEDRT-WPCRTTGESA-N
Smile 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
Number of Rotational Bond 0.0
Polar Surface Area 56.92
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR P-type ATPase inhibitor PubMed PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 5420 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 30440 - - 45-52
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 8300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 2 D008288 ClinicalTrials
Malaria, Falciparum 1 D016778 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1082723
DrugBank DB12306
EPA CompTox DTXSID70152424
FDA SRS Z7Q4FWA04P
Guide to Pharmacology 9721
PubChem 44469321
SureChEMBL SCHEMBL1306342
ZINC ZINC000049037032
CONTENTS