AMODIAQUINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Salt
UNII: K6PW2S574L
Parent Compound: AMODIAQUINE

Structure
InChI Key KBTNVJNLEFHBSO-UHFFFAOYSA-N
Smile CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl
InChI
InChI=1S/C20H22ClN3O.ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28Cl3N3O3
Molecular Weight 464.82
AlogP 5.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 48.39
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Ferriprotoporphyrin IX inhibitor

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 50652
ChEMBL CHEMBL1357648
EPA CompTox DTXSID3045568
FDA SRS K6PW2S574L
KEGG C07626
PDB CQA
PubChem 517313
SureChEMBL SCHEMBL284774
ZINC ZINC32709485
CONTENTS