Drug Information

Drug General Information
Drug ID
D0M1JT
Former ID
DNC011791
Drug Name
4-Methoxy-5-phenyl-6-thia-10b-aza-benzo[e]azulene
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533589]
Structure
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2D MOL

3D MOL
Formula
C19H15NOS
Canonical SMILES
COC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4
InChI
1S/C19H15NOS/c1-21-18-16-11-7-13-20(16)15-10-5-6-12-17(15)22-19(18)14-8-3-2-4-9-14/h2-13H,1H3
InChIKey
AWMKYXNZIQHXIW-UHFFFAOYSA-N
PubChem Compound ID
10494803
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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