Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02RDE
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| Former ID |
DNC000829
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| Drug Name |
JTV-605
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| Drug Type |
Small molecular drug
|
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| Indication | Dysmenorrhea [ICD9: 625.3; ICD10:N94.4-N94.6] | Terminated | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C39H44N4O4S
|
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| Canonical SMILES |
CN(C)C1CCN(CC1)C(=O)CCCOC2=C(C=CC(=C2)C(=O)N3CCCCC4=C3C<br />=CS4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6
|
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| InChI |
1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
|
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| InChIKey |
LKUCMBNAHQWPJK-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V2 receptor | Target Info | Antagonist | [2] | |
| Vasopressin V1a receptor | Target Info | Antagonist | [2] | ||
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| Vasopressin-regulated water reabsorptionhsa04020:Calcium signaling pathway | |||||
| Vascular smooth muscle contraction | |||||
| Pathway Interaction Database | Arf6 trafficking events | ||||
| PathWhiz Pathway | Vasopressin Regulation of Water Homeostasis | ||||
| Reactome | Vasopressin-like receptors | ||||
| G alpha (s) signalling events | |||||
| Vasopressin regulates renal water homeostasis via AquaporinsR-HSA-388479:Vasopressin-like receptors | |||||
| G alpha (q) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Regulation of Water Balance by Renal Aquaporins | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010443) | ||||
| REF 2 | Nonpeptide vasopressin receptor antagonists: development of selective and orally active V1a, V2 and V1b receptor ligands. Prog Brain Res. 2002;139:197-210. | ||||
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