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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL682
CHEMBL682
Compound Name AMODIAQUINE
ChEMBL Synonyms Camoquin | Amodiaquine | GNF-Pf-5648 | SID11112979 | SID50085969 | Amodiaquine Hydrochloride | SID56463594 | SJ000110703 | SID144204316 | TCMDC-123932 | SID56320804
Max Phase 4 (Approved)
Trade Names Flavoquine | Camoquin | Camoquin Hydrochloride
Molecular Formula C20H22ClN3O

Additional synonyms for CHEMBL682 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Standard InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23 ...
Download InChI
Standard InChI Key OVCDSSHSILBFBN-UHFFFAOYSA-N

Molecule Features

CHEMBL682 compound icon

Alternate Forms of Compound in Malaria Data


CHEMBL682

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
355.9 355.1451 4.76 0 6 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
9.43 5.62 3.13 .95 3 25 1 0.63

Compound Cross References

ATC P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BA Aminoquinolines
P01BA06 amodiaquine

ChemSpider ChemSpider:OVCDSSHSILBFBN-UHFFFAOYSA-N
PubChem SID: 50085969
Wikipedia Amodiaquine

UniChem Cross References

DrugBank DB00613
PDBe CQA
KEGG Ligand C07626
ChEBI 2674
ZINC ZINC000000608172
eMolecules 30334305 27516205 901375
IBM Patent System A782C00BEE834BFB84C09EABB5D9A3A1
FDA SRS 220236ED28
SureChEMBL SCHEMBL44152
PharmGKB PA448404
Human Metabolome Database HMDB0014751
PubChem: Thomson Pharma 15374079
PubChem 2165 3647519
Mcule MCULE-5116434245
LINCS LSM-4042
ACToR 86-42-0
MolPort MolPort-000-728-509
Nikkaji J4.258G
BindingDB 50041457
EPA CompTox Dashboard DTXSID2022597
DrugCentral 186
Brenda 92441 6149

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OVCDSSHSILBFBN-UHFFFAOYSA-N spacer
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