Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09HMT
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| Former ID |
DNC004474
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| Drug Name |
[HO1][Orn8(5/6C-Rhm)]VT
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| Indication | Discovery agent | Investigative | [526347] | ||
| Formula |
C65H85N14O16S2+
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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(CCCNC(=O)C4=CC(=C(C<br />=C4)C5=C6C=CC(=CC6OC7=CC(=[N+](C)C)C=CC75)N(C)C)C(=O)O)<br />C(=O)NCN)CC(=O)N)CCC(=O)N
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| InChI |
1S/C65H84N14O16S2/c1-7-33(2)54-62(90)72-44(22-23-51(67)82)58(86)73-45(29-52(68)83)59(87)74-46(30-96-97-31-48(81)61(89)76-55(63(91)75-54)34-12-17-38(80)18-13-34)64(92)79-25-9-11-47(79)60(88)71-43(57(85)70-32-66)10-8-24-69-56(84)35-14-19-39(42(26-35)65(93)94)53-40-20-15-36(77(3)4)27-49(40)95-50-28-37(78(5)6)16-21-41(50)53/h12-21,26-28,33,40,43-48,50,54-55,81H,7-11,22-25,29-32,66H2,1-6H3,(H13-,67,68,69,70,71,72,73,74,75,76,80,82,83,84,85,86,87,88,89,90,91,93,94)/p+1/t33?,40?,43-,44+,45+,46+,47+,48?,50?,54+,55-/m0/s1
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| InChIKey |
XSTBAVMTSHGRBE-CEBVGXOVSA-O
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | 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 | |||||