Drug Information

Drug General Information
Drug ID
D0MS8T
Former ID
DNC012788
Drug Name
IRL-1722
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551305]
Structure
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2D MOL

3D MOL
Formula
C21H20N2O3
Canonical SMILES
C1C(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C4=CC=CC=C4
InChI
1S/C21H20N2O3/c24-20(17-11-16(17)13-6-2-1-3-7-13)23-19(21(25)26)10-14-12-22-18-9-5-4-8-15(14)18/h1-9,12,16-17,19,22H,10-11H2,(H,23,24)(H,25,26)/t16?,17?,19-/m0/s1
InChIKey
DRPGADQFIJJWNZ-TVPLGVNVSA-N
PubChem Compound ID
9863132
Target and Pathway
Target(s) Endothelin B receptor Target Info Inhibitor [551305]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Melanogenesis
Pathways in cancer
PANTHER Pathway Endothelin signaling pathway
Pathway Interaction Database Endothelins
Arf6 trafficking 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
References
Ref 551305IRL 2500: A potent ETB selective endothelin antagonist, Bioorg. Med. Chem. Lett. 6(19):2323-2328 (1996).
Ref 551305IRL 2500: A potent ETB selective endothelin antagonist, Bioorg. Med. Chem. Lett. 6(19):2323-2328 (1996).

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