Drug Information

Drug General Information
Drug ID
D0A3TE
Former ID
DNC011795
Drug Name
5-Phenyl-6-thia-10b-aza-benzo[e]azulene
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533589]
Formula
C18H13NS
Canonical SMILES
C1=CC=C(C=C1)C2=CC3=CC=CN3C4=CC=CC=C4S2
InChI
1S/C18H13NS/c1-2-7-14(8-3-1)18-13-15-9-6-12-19(15)16-10-4-5-11-17(16)20-18/h1-13H
InChIKey
XBVRXEAOFZWJAH-UHFFFAOYSA-N
PubChem Compound ID
13057872
Target and Pathway
Target(s) Peripheral-type benzodiazepine receptor Target Info Inhibitor [533589]
KEGG Pathway Neuroactive ligand-receptor interaction
HTLV-I infection
References
Ref 533589J Med Chem. 1995 Nov 10;38(23):4730-8.A concerted study using binding measurements, X-ray structural data, and molecular modeling on the stereochemical features responsible for the affinity of 6-arylpyrrolo[2,1-d][1,5]benzothiazepines toward mitochondrial benzodiazepine receptors.
Ref 533589J Med Chem. 1995 Nov 10;38(23):4730-8.A concerted study using binding measurements, X-ray structural data, and molecular modeling on the stereochemical features responsible for the affinity of 6-arylpyrrolo[2,1-d][1,5]benzothiazepines toward mitochondrial benzodiazepine receptors.

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