Drug Information

Drug General Information
Drug ID
D04SVT
Former ID
DNC005875
Drug Name
L-159093
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527799]
Structure
Download
2D MOL

3D MOL
Formula
C31H34N8O2
Canonical SMILES
CCCCC1=NC2=C(C=C(C=C2)NC(=O)N(C)C(C)C)C(=O)N1CC3=CC=C(C<br />=C3)C4=CC=CC=C4C5=NNN=N5
InChI
1S/C31H34N8O2/c1-5-6-11-28-33-27-17-16-23(32-31(41)38(4)20(2)3)18-26(27)30(40)39(28)19-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29-34-36-37-35-29/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,41)(H,34,35,36,37)
InChIKey
XUXPOYGCLABTCS-UHFFFAOYSA-N
PubChem Compound ID
9829012
Target and Pathway
Target(s) Type-1 angiotensin II receptor Target Info Inhibitor [527799]
Type-2 angiotensin II receptor Target Info Inhibitor [533939]
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 527799J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm.
Ref 527799J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm.
Ref 533939J Med Chem. 1993 Oct 15;36(21):3207-10.A potent, orally active, balanced affinity angiotensin II AT1 antagonist and AT2 binding inhibitor.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.