Drug Information

Drug General Information
Drug ID
D0X1ZC
Former ID
DNC012766
Drug Name
IRL-1841
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551305]
Structure
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2D MOL

3D MOL
Formula
C30H31N3O4
Canonical SMILES
CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC(CC3=CNC4<br />=CC=CC=C43)C(=O)O)C
InChI
1S/C30H31N3O4/c1-19-13-20(2)15-22(14-19)29(35)33(3)27(16-21-9-5-4-6-10-21)28(34)32-26(30(36)37)17-23-18-31-25-12-8-7-11-24(23)25/h4-15,18,26-27,31H,16-17H2,1-3H3,(H,32,34)(H,36,37)/t26-,27+/m0/s1
InChIKey
JFNANCYIHVAEQV-RRPNLBNLSA-N
PubChem Compound ID
9848710
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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