Drug Information

Drug General Information
Drug ID
D00UBK
Former ID
DNC005877
Drug Name
L-159689
Drug Type
Small molecular drug
Indication Hypertension [ICD9: 401; ICD10:I10-I16] Terminated [545497]
Structure
Download
2D MOL

3D MOL
Formula
C37H37N7O2
Canonical SMILES
CCCCCN(C1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=C(C=C3)C4=CC=CC=<br />C4C5=NNN=N5)CCC)C(=O)C6=CC=CC=C6
InChI
1S/C37H37N7O2/c1-3-5-11-23-43(36(45)28-13-7-6-8-14-28)29-21-22-33-32(24-29)37(46)44(34(38-33)12-4-2)25-26-17-19-27(20-18-26)30-15-9-10-16-31(30)35-39-41-42-40-35/h6-10,13-22,24H,3-5,11-12,23,25H2,1-2H3,(H,39,40,41,42)
InChIKey
JQXJNTQZCWEHKS-UHFFFAOYSA-N
PubChem Compound ID
9851889
Target and Pathway
Target(s) Type-1 angiotensin II receptor Target Info Inhibitor [527799]
Type-2 angiotensin II receptor Target Info Inhibitor [551315]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Renin-angiotensin system
Renin secretion
Pathways in cancerhsa04080:Neuroactive ligand-receptor interaction
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Angiotensin II-stimulated signaling through G proteins and beta-arrestin
Pathway Interaction Database Arf6 trafficking events
Arf6 signaling events
Angiopoietin receptor Tie2-mediated signaling
PathWhiz Pathway Angiotensin Metabolism
Muscle/Heart Contraction
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways ACE Inhibitor Pathway
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Allograft Rejection
GPCR ligand binding
GPCR downstream signalingWP554:ACE Inhibitor Pathway
GPCR downstream signaling
References
Ref 545497Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003495)
Ref 527799J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm.
Ref 551315The design, binding affinity prediction and synthesis of macrocyclic angiotensin II AT1 and AT2 receptor antagonists, Bioorg. Med. Chem. Lett. 6(8):923-928 (1996).

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