Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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 [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| 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)C2=CC=C(C=C2)O)O)C(=O)N3CCCC3C(=O)NC(CCCNC(=O)C4=CC(=C(C=C4)C5=C6C=CC(=CC6OC7=CC(=[N+](C)C)C=CC75)N(C)C)C(=O)O)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 | Top | |||
|---|---|---|---|---|
| Target(s) | Oxytocin receptor (OTR) | Target Info | Inhibitor | [1] |
| Vasopressin V1a receptor (V1AR) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Oxytocin 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 events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Myometrial Relaxation and Contraction Pathways | ||||
| Oxytocin signaling | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and characterization of fluorescent antagonists and agonists for human oxytocin and vasopressin V(1)(a) receptors. J Med Chem. 2002 Jun 6;45(12):2579-88. | |||
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