Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0MS8T
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| Former ID |
DNC012788
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| Drug Name |
IRL-1722
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| Synonyms |
CHEMBL418898; IRL-1722; BDBM50287880; (S)-3-(1H-Indol-3-yl)-2-[(2-phenyl-cyclopropanecarbonyl)-amino]-propionic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H20N2O3
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| Canonical SMILES |
C1C(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C4=CC=CC=C4
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| 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
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| InChIKey |
DRPGADQFIJJWNZ-TVPLGVNVSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin B receptor (EDNRB) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | IRL 2500: A potent ETB selective endothelin antagonist, Bioorg. Med. Chem. Lett. 6(19):2323-2328 (1996). | |||
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