Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D892HFI3XA

Structure

InChI Key NYMGNSNKLVNMIA-UHFFFAOYSA-N
Smile CC(C)NNC(=O)c1ccncc1
InChI
InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N3O
Molecular Weight 179.22
AlogP 0.72
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 54.02
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine oxidase inhibitor PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 837-7570 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 5958
ChEMBL CHEMBL92401
DrugBank DB04818
DrugCentral 1480
EPA CompTox DTXSID5023168
FDA SRS D892HFI3XA
KEGG C11777
PubChem 3748
SureChEMBL SCHEMBL4153
ZINC ZINC000000001579