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Ligand

NameCHEMBL1222760
Molecular formulaC23H28ClN5O2
IUPAC name2-[3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
Molecular weight441.96
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50416666
SCHEMBL4315329
Inchi KeyAZICAVITRTWLBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28ClN5O2/c1-16(2)25-22(30)15-29-21(17-5-4-6-18(24)11-17)14-28-13-19(12-20(28)23(29)31)27-9-7-26(3)8-10-27/h4-6,11-14,16H,7-10,15H2,1-3H3,(H,25,30)
PubChem CID44467563
ChEMBLCHEMBL1222760
IUPHARN/A
BindingDB50416666
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
18172Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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