Drug Information

Drug General Information
Drug ID
D0Q3VN
Former ID
DNC007626
Drug Name
HO-LVA
Indication Discovery agent Investigative [529036]
Structure
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2D MOL

3D MOL
Formula
C53H74N16O12
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
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
InChIKey
QSWYUUWOWAFPRH-PDQNOIBYSA-N
PubChem Compound ID
44428111
Target and Pathway
Target(s) Vasopressin V1a receptor Target Info Inhibitor [529036]
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 529036J 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.
Ref 529036J 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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