Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y1AJ
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| Former ID |
DNC004466
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| Drug Name |
D(CH2)5[Tyr(Me)2,Thr4,Orn8(5/6C-Flu),Tyr-NH29]VT
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
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Download2D MOL |
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| Formula |
C73H85N11O19S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC2(CCCCC2)CC(=O)NC(C<br />(=O)N1)(C)C3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=O)C<br />5=CC6=C(C=C5)C(=O)OC67C8=C(C=C(C=C8)O)OC9=C7C=CC(=C9)O)<br />C(=O)NC(C1=CC=C(C=C1)O)C(=O)N)CC(=O)N)C(C)O
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| InChI |
1S/C73H85N11O19S2/c1-5-37(2)58-66(97)80-59(38(3)85)67(98)78-51(34-56(74)90)64(95)79-52(36-104-105-72(27-7-6-8-28-72)35-57(91)83-71(4,70(101)82-58)41-16-20-43(87)21-17-41)68(99)84-30-10-12-53(84)65(96)77-50(63(94)81-60(61(75)92)39-13-18-42(86)19-14-39)11-9-29-76-62(93)40-15-24-46-49(31-40)73(103-69(46)100)47-25-22-44(88)32-54(47)102-55-33-45(89)23-26-48(55)73/h13-26,31-33,37-38,50-53,58-60,85-89H,5-12,27-30,34-36H2,1-4H3,(H2,74,90)(H2,75,92)(H,76,93)(H,77,96)(H,78,98)(H,79,95)(H,80,97)(H,81,94)(H,82,101)(H,83,91)/t37?,38?,50-,51+,52+,53+,58+,59+,60-,71+/m0/s1
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| InChIKey |
BBABDJYQAOTGDM-JEIVZFIASA-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] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Vascular smooth muscle contractionhsa04020:Calcium signaling pathway | |||||
| cAMP signaling pathway | |||||
| Oxytocin signaling pathway | |||||
| 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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