Drug Information

Drug General Information
Drug ID
D09LQK
Former ID
DNC000342
Drug Name
BQ-123
Drug Type
Small molecular drug
Indication Pulmonary arterial hypertension [ICD9: 416; ICD10:I27.0, I27.2] Phase 2 [522196], [543354]
Structure
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2D MOL

3D MOL
Formula
C31H42N6O7
InChI
InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
InChIKey
VYCMAAOURFJIHD-PJNXIOHISA-N
CAS Number
CAS 71675-85-9
PubChem Compound ID
443289
PubChem Substance ID
13752, 7978806, 10299266, 14789525, 14789526, 36886633, 53789162, 57404330, 80881355, 103292601, 103960399, 104629609, 135078965, 135652048, 135697974, 137272190, 162220560, 198973221, 223439065, 227515734
Target and Pathway
Target(s) Endothelin-1 receptor Target Info Antagonist [535609], [538019]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Renin secretion
Pathways in cancer
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathway
Pathway Interaction Database Endothelins
EGFR-dependent Endothelin signaling events
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways Prostaglandin Synthesis and Regulation
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Endothelin Pathways
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 522196ClinicalTrials.gov (NCT00586820) Role of Endothelin in Microvascular Dysfunction Following PCI for NSTEMI. U.S. National Institutes of Health.
Ref 543354(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: 997).
Ref 535609The therapeutic potential of endothelin-1 receptor antagonists and endothelin-converting enzyme inhibitors on the cardiovascular system. Expert Opin Investig Drugs. 2002 Nov;11(11):1537-52.
Ref 538019Endothelin in heart failure: a promising therapeutic target? Heart. 1997 Feb;77(2):93-4.

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