TTD | Drug: D0A9BX

Drug General Information
Drug ID	D0A9BX
Former ID	DNC011670
Drug Name	L-158282
Synonyms	MK-996
Drug Type	Small molecular drug
Indication	Discovery agent		Discontinued in Phase 2	[545352]
Structure		Download 2D MOL 3D MOL
Formula	C30H28N4O3S
Canonical SMILES	CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5<br />=CC=CC=C5)N=C(C=C2C)C
InChI	1S/C30H28N4O3S/c1-4-27-32-28-20(2)18-21(3)31-29(28)34(27)19-22-14-16-23(17-15-22)25-12-8-9-13-26(25)38(36,37)33-30(35)24-10-6-5-7-11-24/h5-18H,4,19H2,1-3H3,(H,33,35)
InChIKey	LIUNMFCWFYFUGQ-UHFFFAOYSA-N
CAS Number	CAS 162011-90-7
PubChem Compound ID	133031
Target and Pathway
Target(s)	Type-2 angiotensin II receptor	Target Info	Inhibitor	[551261]
KEGG Pathway	Neuroactive ligand-receptor interaction
	Adrenergic signaling in cardiomyocytes
	Renin-angiotensin system
Reactome	Peptide ligand-binding receptors
Reactome	G alpha (i) signalling events
WikiPathways	ACE Inhibitor Pathway
	GPCRs, Class A Rhodopsin-like
	Peptide GPCRs
	GPCR ligand binding
	GPCR downstream signaling
References
Ref 545352	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002983)
Ref 551261	Subtituted phenylthiophene benzoylsulfonamides with potent binding affinity to angiotensin II AT1 and AT2 receptors, Bioorg. Med. Chem. Lett. 4(1):189-194 (1994).

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Drug Information