ISOCARBOXAZID

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N06AF01
UNII 34237V843T
EPA CompTox DTXSID4023171

Structure

InChI Key XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Smiles Cc1cc(C(=O)NNCc2ccccc2)no1
InChI
InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13N3O2
Molecular Weight 231.25
AlogP 1.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 67.16
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Monoamine oxidase inhibitor INHIBITOR FDA Wikipedia

Target Conservation

Protein: Monoamine oxidase
Description: Amine oxidase [flavin-containing] A
Organism : Homo sapiens
P21397 ENSG00000189221
Protein: Monoamine oxidase
Description: Amine oxidase [flavin-containing] B
Organism : Homo sapiens
P27338 ENSG00000069535

Cross References

Resources Reference
ChEBI 93635
ChEMBL CHEMBL1201168
DrugBank DB01247
DrugCentral 1490
FDA SRS 34237V843T
Human Metabolome Database HMDB0015377
Guide to Pharmacology 7204
PharmGKB PA450101
PubChem 3759
SureChEMBL SCHEMBL49562
ZINC ZINC000000001587
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