Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0M3BJ
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| Former ID |
DNC004468
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| Drug Name |
D[Lys8(5/6-Flu)]VT
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C62H74N12O17S2
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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)CCC(=O)N
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| InChI |
1S/C62H74N12O17S2/c1-3-31(2)51-58(86)69-42(19-20-48(64)78)55(83)70-43(28-49(65)79)56(84)71-44(29-93-92-24-21-50(80)72-52(59(87)73-51)32-9-12-34(75)13-10-32)60(88)74-23-6-8-45(74)57(85)68-41(54(82)67-30-63)7-4-5-22-66-53(81)33-11-16-37-40(25-33)62(91-61(37)89)38-17-14-35(76)26-46(38)90-47-27-36(77)15-18-39(47)62/h9-18,25-27,31,41-45,51-52,75-77H,3-8,19-24,28-30,63H2,1-2H3,(H2,64,78)(H2,65,79)(H,66,81)(H,67,82)(H,68,85)(H,69,86)(H,70,83)(H,71,84)(H,72,80)(H,73,87)/t31?,41-,42+,43+,44+,45+,51+,52-/m0/s1
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| InChIKey |
OXFDSXJSRLFTMF-NRQFMKBZSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V1a receptor | Target Info | Inhibitor | [1] | |
| Oxytocin receptor | Target Info | Inhibitor | [1] | ||
| Vasopressin V1b 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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