Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05YHE
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| Former ID |
DNC004477
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| Drug Name |
D[Thr4,Lys8(5/6C-Flu)]VT
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C61H73N11O17S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)C2<br />=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CCCCNC(=O)C4=CC5=C(C=C<br />4)C(=O)OC56C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)C(=O)NCN)CC<br />(=O)N)C(C)O
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| InChI |
1S/C61H73N11O17S2/c1-4-30(2)49-56(83)71-50(31(3)73)57(84)67-42(27-47(63)77)54(81)68-43(28-91-90-23-20-48(78)69-51(58(85)70-49)32-10-13-34(74)14-11-32)59(86)72-22-7-9-44(72)55(82)66-41(53(80)65-29-62)8-5-6-21-64-52(79)33-12-17-37-40(24-33)61(89-60(37)87)38-18-15-35(75)25-45(38)88-46-26-36(76)16-19-39(46)61/h10-19,24-26,30-31,41-44,49-51,73-76H,4-9,20-23,27-29,62H2,1-3H3,(H2,63,77)(H,64,79)(H,65,80)(H,66,82)(H,67,84)(H,68,81)(H,69,78)(H,70,85)(H,71,83)/t30?,31?,41-,42+,43+,44+,49+,50+,51-/m0/s1
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| InChIKey |
NBPSKZJBUIXUIP-IAPRXICDSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V1b receptor | Target Info | Inhibitor | [1] | |
| Oxytocin receptor | Target Info | Inhibitor | [1] | ||
| Vasopressin V1a receptor | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Vascular smooth muscle contractionhsa04020:Calcium signaling pathway | |||||
| cAMP signaling pathway | |||||
| Oxytocin signaling pathwayhsa04020:Calcium signaling pathway | |||||
| Vascular smooth muscle contraction | |||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | ||||
| PANTHER Pathway | Oxytocin receptor mediated signaling pathway | ||||
| Reactome | Vasopressin-like receptors | ||||
| G alpha (q) signalling eventsR-HSA-388479: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 signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| Myometrial Relaxation and Contraction Pathways | |||||
| Oxytocin signaling | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | J Med Chem. 2002 Jun 6;45(12):2579-88.Synthesis and characterization of fluorescent antagonists and agonists for human oxytocin and vasopressin V(1)(a) receptors. | ||||
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