Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02YBV
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| Former ID |
DIB018445
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| Drug Name |
[Val4]AVP
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| Synonyms |
4-Val-argipressin
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C46H66N14O11S2
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| Canonical SMILES |
CC(C)C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)N)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N
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| InChI |
1S/C46H66N14O11S2/c1-24(2)37-44(70)57-32(20-35(48)62)41(67)58-33(45(71)60-17-7-11-34(60)43(69)54-29(10-6-16-52-46(50)51)39(65)53-21-36(49)63)23-73-72-22-28(47)38(64)55-30(19-26-12-14-27(61)15-13-26)40(66)56-31(42(68)59-37)18-25-8-4-3-5-9-25/h3-5,8-9,12-15,24,28-34,37,61H,6-7,10-11,16-23,47H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,69)(H,55,64)(H,56,66)(H,57,70)(H,58,67)(H,59,68)(H4,50,51,52)/t28-,29+,30-,31-,32-,33-,34-,37-/m0/s1
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| InChIKey |
JITASQOSGITBPR-FMCGBTBPSA-N
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| CAS Number |
CAS 52049-52-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vasopressin V1a receptor (V1AR) | Target Info | Agonist | [2] |
| Vasopressin V1b receptor (V1BR) | Target Info | Agonist | [2] | |
| Vasopressin V2 receptor (V2R) | Target Info | Agonist | [2] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Vasopressin-regulated water reabsorption | ||||
| Pathwhiz Pathway | Vasopressin Regulation of Water Homeostasis | |||
| Pathway Interaction Database | Arf6 trafficking events | |||
| Reactome | Vasopressin-like receptors | |||
| G alpha (q) signalling events | ||||
| G alpha (s) signalling events | ||||
| Vasopressin regulates renal water homeostasis via Aquaporins | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Regulation of Water Balance by Renal Aquaporins | ||||
| 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: 2180). | |||
| REF 2 | [1-deamino-4-cyclohexylalanine] arginine vasopressin: a potent and specific agonist for vasopressin V1b receptors. Endocrinology. 2002 Dec;143(12):4655-64. | |||
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