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]
Structure		Download 2D MOL 3D MOL
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 533589	J 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 533589	J 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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