OXAMNIQUINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1980)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P02BA02
UNII: 00BCY677OT

Structure
InChI Key XCGYUJZMCCFSRP-UHFFFAOYSA-N
Smile CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1
InChI
InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H21N3O3
Molecular Weight 279.34
AlogP 1.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 87.43
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 21738-42-1
ChEBI 78416
ChEMBL CHEMBL847
DrugBank DB01096
DrugCentral 2009
EPA CompTox DTXSID3023398
FDA SRS 00BCY677OT
Human Metabolome Database HMDB0015228
KEGG C07341
PharmGKB PA164748782
PubChem 4612
SureChEMBL SCHEMBL44921
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