Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y5FO
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| Former ID |
DNC004487
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| Drug Name |
[HO1][Thr4,Lys8(5/6C-Flu)]VT
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| Indication | Discovery agent | Investigative | [526347] | ||
| Formula |
C61H73N11O18S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)C<br />2=CC=C(C=C2)O)O)C(=O)N3CCCC3C(=O)NC(CCCCNC(=O)C4=CC5=C(<br />C=C4)C(=O)OC56C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)C(=O)NCN<br />)CC(=O)N)C(C)O
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| InChI |
1S/C61H73N11O18S2/c1-4-29(2)48-56(84)70-49(30(3)73)57(85)67-41(25-47(63)78)53(81)68-42(26-91-92-27-44(77)55(83)71-50(58(86)69-48)31-10-13-33(74)14-11-31)59(87)72-21-7-9-43(72)54(82)66-40(52(80)65-28-62)8-5-6-20-64-51(79)32-12-17-36-39(22-32)61(90-60(36)88)37-18-15-34(75)23-45(37)89-46-24-35(76)16-19-38(46)61/h10-19,22-24,29-30,40-44,48-50,73-77H,4-9,20-21,25-28,62H2,1-3H3,(H2,63,78)(H,64,79)(H,65,80)(H,66,82)(H,67,85)(H,68,81)(H,69,86)(H,70,84)(H,71,83)/t29?,30?,40-,41+,42+,43+,44?,48+,49+,50-/m0/s1
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| InChIKey |
FKCHDAOTEPJVRR-FBPATOIMSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V1b receptor | Target Info | Inhibitor | [526347] | |
| Oxytocin receptor | Target Info | Inhibitor | [526347] | ||
| Vasopressin V1a receptor | Target Info | Inhibitor | [526347] | ||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | ||||
| PANTHER Pathway | Oxytocin receptor mediated signaling pathway | ||||
| References | |||||