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]
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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
TTD ID: D0XS6T

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.