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
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
G alpha (i) signalling events
WikiPathways ACE Inhibitor Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 545352Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002983)
Ref 551261Subtituted 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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