Drug Information

Drug General Information
Drug ID
D0I8ZZ
Former ID
DNC007625
Drug Name
Relcovaptan
Drug Type
Small molecular drug
Indication Discovery agent Discontinued in Phase 2 [539400], [545828]
Structure
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2D MOL

3D MOL
Formula
C28H27Cl2N3O7S
InChI
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
InChIKey
CEBYCSRFKCEUSW-NAYZPBBASA-N
CAS Number
CAS 150375-75-0
PubChem Compound ID
60943
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
Target and Pathway
Target(s) Vasopressin V1a receptor Target Info Inhibitor [529036]
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
Ref 539400(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: 2200).
Ref 545828Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004942)
Ref 529036J Med Chem. 2007 Oct 4;50(20):4976-85. Epub 2007 Sep 12.Toward efficient drug screening by homogeneous assays based on the development of new fluorescent vasopressin and oxytocin receptor ligands.

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