Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0I8ZZ
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| Former ID |
DNC007625
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| Drug Name |
Relcovaptan
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| Synonyms |
SR 49059; SR-49059; Relcovaptan [INN]; 150375-75-0; UNII-C1GL8G6G0O; SR49059; C1GL8G6G0O; CHEMBL419667; 1-(5-Chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide; (2S)-1-[[(2R,3S)-5-CHLORO-3-(2-CHLOROPHENYL)-1-[(3,4-DIMETHOXYPHENYL)SULFONYL]-2,3-DIHYDRO-3-HYDROXY-1H-INDOL-2-YL]CARBONYL]-2-PYRROLIDINECARBOXAMIDE; 2-Pyrrolidinecarboxamide,; [3H]relcovaptan
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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 |
C28H27Cl2N3O7S
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| Canonical SMILES |
COC1=C(C=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCCC5C(=O)N)OC
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| InChI |
1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
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| InChIKey |
CEBYCSRFKCEUSW-NAYZPBBASA-N
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| CAS Number |
CAS 150375-75-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7980662, 8187129, 14863085, 14887572, 26753276, 43118261, 50038302, 50105680, 53378720, 53786778, 57314191, 85789081, 103294911, 104008209, 104322008, 117568927, 127611794, 134340560, 134344830, 135017277, 135651080, 137249508, 140278682, 162023296, 162248707, 178100473, 180370993, 184538721, 198968262, 230321120, 241375877, 242486676, 249617536, 252156434, 252159999, 252361308, 252451002
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| ChEBI ID |
CHEBI:93701
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vasopressin V1a receptor (V1AR) | Target Info | Inhibitor | [2], [3] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Reactome | Vasopressin-like receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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: 3482). | |||
| REF 2 | Binding of [3H] SR 49059, a potent nonpeptide vasopressin V1a antagonist, to rat and human liver membranes. Biochem Biophys Res Commun. 1994 Feb 28;199(1):353-60. | |||
| REF 3 | Toward efficient drug screening by homogeneous assays based on the development of new fluorescent vasopressin and oxytocin receptor ligands. J Med Chem. 2007 Oct 4;50(20):4976-85. | |||
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