Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09OML
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| Former ID |
DNC013158
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| Drug Name |
D[D-3-Pal2]AVP
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C45H63N15O11S2
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| Canonical SMILES |
C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C<br />(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CN=CC=C4)C(=O)<br />NC(CCCN=C(N)N)C(=O)NCC(=O)N
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| InChI |
1S/C45H63N15O11S2/c46-34(61)13-12-28-39(66)58-31(21-35(47)62)42(69)59-32(44(71)60-17-6-11-33(60)43(70)56-27(10-5-16-52-45(49)50)38(65)53-23-36(48)63)24-73-72-18-14-37(64)54-29(20-26-9-4-15-51-22-26)40(67)57-30(41(68)55-28)19-25-7-2-1-3-8-25/h1-4,7-9,15,22,27-33H,5-6,10-14,16-21,23-24H2,(H2,46,61)(H2,47,62)(H2,48,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,49,50,52)/t27-,28-,29+,30-,31-,32-,33-/m0/s1
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| InChIKey |
KEAHYTRPVNOHKL-ZHFJCBJKSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V1a receptor | Target Info | Inhibitor | [2] | |
| Vasopressin V1b receptor | Target Info | Inhibitor | [2] | ||
| Vasopressin V2 receptor | Target Info | Inhibitor | [2] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Vascular smooth muscle contractionhsa04020:Calcium signaling pathway | |||||
| Vascular smooth muscle contractionhsa04080:Neuroactive ligand-receptor interaction | |||||
| Vasopressin-regulated water reabsorption | |||||
| Pathway Interaction Database | Arf6 trafficking events | ||||
| PathWhiz Pathway | Vasopressin Regulation of Water Homeostasis | ||||
| Reactome | Vasopressin-like receptors | ||||
| G alpha (q) signalling eventsR-HSA-388479:Vasopressin-like receptors | |||||
| 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 signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| Regulation of Water Balance by Renal Aquaporins | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | (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: 2184). | ||||
| REF 2 | J Med Chem. 2007 Feb 22;50(4):835-47.Design and synthesis of the first selective agonists for the rat vasopressin V(1b) receptor: based on modifications of deamino-[Cys1]arginine vasopressin at positions 4 and 8. | ||||
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