Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08JNK
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| Former ID |
DIB019687
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| Drug Name |
d(CH2)5[D-Ile2,Ile4]AVP
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| Synonyms |
beta-mercapto-beta,beta,cyclopentamethylenepropionyl[D-Ile2,Ile4]AVP; d(CH2)5[D-Ile2,Ile4]VP
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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 |
C49H77N13O10S2
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)NC(=O)CC3CCCCC3=S
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| InChI |
1S/C49H77N13O10S2/c1-5-27(3)40(60-39(65)23-30-16-10-11-19-36(30)74)46(70)57-32(22-29-14-8-7-9-15-29)44(68)61-41(28(4)6-2)47(71)58-33(24-37(50)63)43(67)59-34(26-73)48(72)62-21-13-18-35(62)45(69)56-31(17-12-20-54-49(52)53)42(66)55-25-38(51)64/h7-9,14-15,27-28,30-35,40-41,73H,5-6,10-13,16-26H2,1-4H3,(H2,50,63)(H2,51,64)(H,55,66)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H,60,65)(H,61,68)(H4,52,53,54)/t27-,28+,30?,31-,32-,33-,34-,35-,40-,41+/m0/s1
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| InChIKey |
CNWFVLCMGVAHSD-HAEBMLOOSA-N
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| CAS Number |
CAS 103529-95-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vasopressin V2 receptor (V2R) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Vasopressin-regulated water reabsorption | ||||
| Pathwhiz Pathway | Vasopressin Regulation of Water Homeostasis | |||
| Pathway Interaction Database | Arf6 trafficking events | |||
| Reactome | Vasopressin-like receptors | |||
| G alpha (s) signalling events | ||||
| Vasopressin regulates renal water homeostasis via Aquaporins | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Regulation of Water Balance by Renal Aquaporins | ||||
| 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: 2236). | |||
| REF 2 | Binding properties of a selective tritiated vasopressin V2 receptor antagonist, [H]-SR 121463. Kidney Int. 2000 Oct;58(4):1613-22. | |||
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