Details of the Drug

General Information of Drug (ID: DMIS3LN)

Drug Name
3-Amino-4'-amino-trans-stilbene
Synonyms
3,4'-Diaminostilbene; CCRIS 6786; CHEMBL1171628; BRN 3129972; 3-(2-(4-Aminophenyl)ethenyl)benzenamine; Benzenamine, 3-(2-(4-aminophenyl)ethenyl)-; 79305-82-1; 3-[2-(4-aminophenyl)ethenyl]aniline; AC1NYYMC; Stilbene-3,4'-diamine; AC1Q51YO; (E)-Stilbene-3,4'-diamine; SCHEMBL2774636; SCHEMBL2774639; 3-Amino-4''-amino-trans-stilbene; ZINC5161777; BDBM50322063; AKOS030582755; LS-28069; 3-[(E)-2-(4-aminophenyl)ethenyl]aniline; 3-13-00-00512 (Beilstein Handbook Reference)
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) 210.27
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H14N2
IUPAC Name
3-[(E)-2-(4-aminophenyl)ethenyl]aniline
Canonical SMILES
C1=CC(=CC(=C1)N)/C=C/C2=CC=C(C=C2)N
InChI
InChI=1S/C14H14N2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H,15-16H2/b5-4+
InChIKey
IXGDBTKLQUHIAX-SNAWJCMRSA-N
Cross-matching ID
PubChem CID
5844100
ChEBI ID
CHEMBL1171628
CAS Number
79305-82-1
TTD ID
D0Q6XB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.