Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02FXZ
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| Former ID |
DNC004464
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| Drug Name |
DesGly-NH2,d(CH2)5[D-Tyr2,Thr4,Orn8(5/6C-Flu)]VT
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C64H75N9O18S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC2(CCCCC2)CC(=O)NC(C(=O)N1)C3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=O)C5=CC6=C(C=C5)C(=O)OC67C8=C(C=C(C=C8)O)OC9=C7C=CC(=C9)O)C(=O)O)CC(=O)N)C(C)O
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| InChI |
1S/C64H75N9O18S2/c1-4-32(2)51-57(83)72-52(33(3)74)58(84)68-44(29-49(65)78)55(81)69-45(31-92-93-63(22-6-5-7-23-63)30-50(79)70-53(59(85)71-51)34-12-15-36(75)16-13-34)60(86)73-25-9-11-46(73)56(82)67-43(61(87)88)10-8-24-66-54(80)35-14-19-39-42(26-35)64(91-62(39)89)40-20-17-37(76)27-47(40)90-48-28-38(77)18-21-41(48)64/h12-21,26-28,32-33,43-46,51-53,74-77H,4-11,22-25,29-31H2,1-3H3,(H2,65,78)(H,66,80)(H,67,82)(H,68,84)(H,69,81)(H,70,79)(H,71,85)(H,72,83)(H,87,88)/t32?,33?,43-,44+,45+,46+,51+,52+,53-/m0/s1
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| InChIKey |
YDQFMQKHNPCEQF-AMPJLWALSA-N
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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 | |||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| 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 events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Myometrial Relaxation and Contraction Pathways | ||||
| Oxytocin 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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