Details of the Drug

General Information of Drug (ID: DMMYT4W)

Drug Name
1-(4-Aminophenyl)-2-(1H-imidazol-1-yl)ethanone
Synonyms
1-(4-aminophenyl)-2-(1h-imidazol-1-yl)ethanone; CHEMBL162431; AC1Q5E94; AC1L1F89; SCHEMBL9663730; BDBM50322067; AKOS022646799; 73932-42-0; 1-(4-aminophenyl)-2-imidazol-1-ylethanone; 1-(4-Amino-phenyl)-2-imidazol-1-yl-ethanone; alpha-(1H-Imidazole-1-yl)-4'-aminoacetophenone; Ethanone, 1-(4-aminophenyl)-2-(1H-imidazol-1-yl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 201.22
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H11N3O
IUPAC Name
1-(4-aminophenyl)-2-imidazol-1-ylethanone
Canonical SMILES
C1=CC(=CC=C1C(=O)CN2C=CN=C2)N
InChI
InChI=1S/C11H11N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7,12H2
InChIKey
QRMNVYHFJCGDDI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53602
ChEBI ID
CHEMBL162431
TTD ID
D0XS6T
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.