Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01EDE
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| Former ID |
DNC012791
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| Drug Name |
IRL-2500
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| Synonyms |
IRL-2500; 169545-27-1; IRL2500; CHEMBL72410; (2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid; Tocris-1838; AC1NSK6K; SCHEMBL7444422; GTPL3887; CTK8E7373; DTXSID20415511; MolPort-003-983-837; IRL 2500; ZINC1891205; BDBM50071433; AKOS024456806; NCGC00025309-02; NCGC00025309-01; RT-013358; B6872; A-360; I-190; SR-01000597543; J-010557; SR-01000597543-1; N-3-[1,1'-Biphenyl]-4-yl-N-(3,5-dimethylbenzoyl)-N-methyl-D-alanyl-L-tryptophan
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C36H35N3O4
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| Canonical SMILES |
CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)C
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| 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
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| InChIKey |
UZDORQWMYRRLQV-JHOUSYSJSA-N
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| CAS Number |
CAS 169545-27-1
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| PubChem Compound ID | ||||
| PubChem Substance 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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