Drug Information

Drug General Information
Drug ID
D01EDE
Former ID
DNC012791
Drug Name
IRL-2500
Drug Type
Small molecular drug
Indication Discovery agent Terminated [540533], [546095]
Structure
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2D MOL

3D MOL
Formula
C36H35N3O4
InChI
InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1
InChIKey
UZDORQWMYRRLQV-JHOUSYSJSA-N
PubChem Compound ID
5311192
PubChem Substance ID
7979650, 11056327, 11114230, 14837890, 15457891, 39340902, 50104965, 57359382, 80239839, 91746574, 103269499, 103965186, 114155508, 134349996, 163122285, 178100723, 204370895, 233063714, 241375639, 252156129
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 540533(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3887).
Ref 546095Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006320)
Ref 551305IRL 2500: A potent ETB selective endothelin antagonist, Bioorg. Med. Chem. Lett. 6(19):2323-2328 (1996).

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