Drug General Information
Drug ID
D0OW4A
Former ID
DIB010243
Drug Name
PD-145065
Synonyms
N-Acetyl-2-D-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)glycyl-L-leucyl-L-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan
Drug Type
Small molecular drug
Indication Hypertension [ICD9: 401; ICD10:I10-I16] Phase 2 [533860]
Structure
Download
2D MOL

3D MOL

Formula
C52H67N7O10
Canonical SMILES
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)<br />O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C3C4=CC=CC=C4C<br />CC5=CC=CC=C35)NC(=O)C
InChI
1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46+/m0/s1
InChIKey
HRAQSWKGRRUBDJ-OMUAVVNCSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Endothelin-1 receptor Target Info Modulator [533860]
Endothelin B receptor Target Info Modulator [533860]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Renin secretion
Pathways in cancerhsa04020:Calcium signaling pathway
Melanogenesis
Pathways in cancer
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathwayP00019:Endothelin signaling pathway
Pathway Interaction Database Endothelins
EGFR-dependent Endothelin signaling eventsendothelinpathway:Endothelins
Arf6 trafficking events
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276: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, OtherWP98:Prostaglandin Synthesis and Regulation
References
Ref 533860Reversal of established responses to endothelin-1 in vivo and in vitro by the endothelin receptor antagonists, BQ-123 and PD 145065. Br J Pharmacol. 1994 May;112(1):207-13.
Ref 533860Reversal of established responses to endothelin-1 in vivo and in vitro by the endothelin receptor antagonists, BQ-123 and PD 145065. Br J Pharmacol. 1994 May;112(1):207-13.

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