Drug General Information
Drug ID
D04WHO
Former ID
DIB019200
Drug Name
compound 11
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526647], [541760]
Structure
Download
2D MOL
Formula
C27H25Cl2N5O4S
InChI
InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1
InChIKey
HYJYRDCPGUEYND-XMMPIXPASA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) B2 bradykinin receptor Target Info Antagonist [526647]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
Endocrine and other factor-regulated calcium reabsorption
Chagas disease (American trypanosomiasis)
Pathways in cancer
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Pathway Interaction Database Direct p53 effectors
Validated transcriptional targets of deltaNp63 isoforms
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
G alpha (i) signalling events
WikiPathways ACE Inhibitor Pathway
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Nifedipine Activity
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 526647Discovery of a potent, non-peptide bradykinin B1 receptor antagonist. J Am Chem Soc. 2003 Jun 25;125(25):7516-7.
Ref 541760(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: 665).
Ref 526647Discovery of a potent, non-peptide bradykinin B1 receptor antagonist. J Am Chem Soc. 2003 Jun 25;125(25):7516-7.

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