IPRONIAZID

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Synonyms
Status
Molecule Category Free-form
UNII D892HFI3XA
EPA CompTox DTXSID5023168

Structure

InChI Key NYMGNSNKLVNMIA-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Monoamine oxidase inhibitor INHIBITOR PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 7.54-985 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 7.54-985 - - -

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 5958
ChEMBL CHEMBL92401
DrugBank DB04818
DrugCentral 1480
FDA SRS D892HFI3XA
KEGG C11777
PubChem 3748
SureChEMBL SCHEMBL4153
ZINC ZINC000000001579
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