Details of the Drug

General Information of Drug (ID: DMQ9TNB)

Drug Name

3,5-Dihydroxyl-4'-amino-trans-stilbene

Synonyms

CHEMBL1172402; Stilbene derivative, 3; SCHEMBL2516281; CHEBI:125141; (E)-4'-Aminostilbene-3,5-diol; BDBM50322066; 3,5-Dihydroxyl-4''-amino-trans-stilbene

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)

227.26

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H13NO2
IUPAC Name: 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol
Canonical SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)N
InChI: InChI=1S/C14H13NO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H,15H2/b2-1+
InChIKey: MDUTXYLPODCITG-OWOJBTEDSA-N

Cross-matching ID

PubChem CID: 46191176
ChEBI ID: CHEBI:125141
TTD ID: D0J4VR

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.