Drug General Information
Drug ID
D0D2MA
Former ID
DIB019116
Drug Name
CGP42112
Synonyms
CGP 42112; CGP 42112A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540566]
Structure
Download
2D MOL
Formula
C52H69N13O11
InChI
InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
UXGNARZDONUMMK-LRMQDCNJSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Type-2 angiotensin II receptor Target Info Agonist [531462]
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 540566(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3944).
Ref 531462Relative affinity of angiotensin peptides and novel ligands at AT1 and AT2 receptors. Clin Sci (Lond). 2011 Oct;121(7):297-303.

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