Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0L0RP
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| Former ID |
DNC007627
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| Drug Name |
[Lys8(Alexa 488) ]PVA
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| Synonyms |
CHEMBL1161978
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C94H122Cl3N17O23S3
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| Canonical SMILES |
CC1CC(N=C2C1CC3=C(C4=C(C(=C5C(=C4)C(CC(N5)(C)C)C)S(=O)(=O)O)OC3C2S(=O)(=O)O)C6=C(C(=C(C(=C6Cl)SCC(=O)NCCCCCC(=O)N(C(CCCCN)C(=O)N)C(=O)C7CCN(C7)C(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(CC9=CC=C(C=C9)O)N(C)C(=O)CCC1=CC=C(C=C1)O)Cl)Cl)C(=O)O)(C)C
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| InChI |
1S/C94H122Cl3N17O23S3/c1-48-44-93(3,4)110-77-56(48)41-58-71(59-42-57-49(2)45-94(5,6)111-78(57)83(140(134,135)136)80(59)137-79(58)82(77)139(131,132)133)72-73(91(129)130)74(95)76(97)81(75(72)96)138-47-68(119)104-36-15-9-12-21-70(121)114(64(84(101)122)20-13-14-35-98)89(127)53-34-38-113(46-53)90(128)61(19-16-37-105-92(102)103)107-87(125)63(43-67(100)118)108-85(123)60(31-32-66(99)117)106-86(124)62(39-51-17-10-8-11-18-51)109-88(126)65(40-52-24-29-55(116)30-25-52)112(7)69(120)33-26-50-22-27-54(115)28-23-50/h8,10-11,17-18,22-25,27-30,41,48-49,53,57,60-65,80,83,110,115-116H,9,12-16,19-21,26,31-40,42-47,98H2,1-7H3,(H2,99,117)(H2,100,118)(H2,101,122)(H,104,119)(H,106,124)(H,107,125)(H,108,123)(H,109,126)(H,129,130)(H4,102,103,105)(H,131,132,133)(H,134,135,136)/t48?,49?,53-,57?,60-,61-,62-,63-,64-,65+,80?,83?/m0/s1
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| InChIKey |
SVLGRIWNJNOFJU-CRAMPYNJSA-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] | |
| 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 | |||
|---|---|---|---|---|
| REF 1 | Toward efficient drug screening by homogeneous assays based on the development of new fluorescent vasopressin and oxytocin receptor ligands. J Med Chem. 2007 Oct 4;50(20):4976-85. | |||
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