Drug Information
Drug General Information | Top | |||
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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 [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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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)C2=CC=C(C=C2)O)O)C(=O)N3CCCC3C(=O)NC(CCCCNC(=O)C4=CC5=C(C=C4)C(=O)OC56C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)C(=O)NCN)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 | Top | |||
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Target(s) | Oxytocin receptor (OTR) | Target Info | Inhibitor | [1] |
Vasopressin V1a receptor (V1AR) | Target Info | Inhibitor | [1] | |
Vasopressin V1b receptor (V1BR) | 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 | |||
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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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