Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Q3VN
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| Former ID |
DNC007626
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| Drug Name |
HO-LVA
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
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Download2D MOL |
|||
| Formula |
C53H74N16O12
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| Canonical SMILES |
CN(C(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(=<br />O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)N3CCC(C3)C(<br />=O)NC(CCCN=C(N)N)C(=O)N)C(=O)CC4=CC=C(C=C4)O
|
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| InChI |
1S/C53H74N16O12/c1-68(44(74)27-32-13-17-35(71)18-14-32)41(26-31-11-15-34(70)16-12-31)50(80)67-39(25-30-7-3-2-4-8-30)48(78)64-37(19-20-42(54)72)47(77)66-40(28-43(55)73)49(79)65-38(10-6-23-62-53(59)60)51(81)69-24-21-33(29-69)46(76)63-36(45(56)75)9-5-22-61-52(57)58/h2-4,7-8,11-18,33,36-41,70-71H,5-6,9-10,19-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,76)(H,64,78)(H,65,79)(H,66,77)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t33-,36-,37-,38-,39-,40-,41+/m0/s1
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| InChIKey |
QSWYUUWOWAFPRH-PDQNOIBYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V1a receptor | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Vascular smooth muscle contraction | |||||
| 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 | |||||
| References | |||||
| REF 1 | J Med Chem. 2007 Oct 4;50(20):4976-85. Epub 2007 Sep 12.Toward efficient drug screening by homogeneous assays based on the development of new fluorescent vasopressin and oxytocin receptor ligands. | ||||
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