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Ligand

NameCHEMBL10161
Molecular formulaC25H26ClN5O2
IUPAC name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-7-phenyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
Molecular weight463.966
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
Synonyms5-{3-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]propyl}-3-methyl-7-phenyl-4,5-dihydroisoxazolo[4,5-d]pyridazin-4-one
5-{[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-methyl-7-phenylisoxazolo[4,5-d]pyridazinon-4-(5H)-one
BDBM50201046
LS-86784
Inchi KeyNKYYDZOPTBYOLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26ClN5O2/c1-18-22-24(33-28-18)23(19-7-3-2-4-8-19)27-31(25(22)32)12-6-11-29-13-15-30(16-14-29)21-10-5-9-20(26)17-21/h2-5,7-10,17H,6,11-16H2,1H3
PubChem CID11754159
ChEMBLCHEMBL10161
IUPHARN/A
BindingDB50201046
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
225974Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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