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Ligand

NameCHEMBL59823
Molecular formulaC24H31N3O3
IUPAC name7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,4-benzoxazin-3-one
Molecular weight409.53
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsSCHEMBL9593138
BDBM50064577
4-Methyl-7-[4-[4-(2-methoxyphenyl)piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
Inchi KeyILKVBWYXWVXUPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N3O3/c1-25-20-11-10-19(17-23(20)30-18-24(25)28)7-5-6-12-26-13-15-27(16-14-26)21-8-3-4-9-22(21)29-2/h3-4,8-11,17H,5-7,12-16,18H2,1-2H3
PubChem CID10573576
ChEMBLCHEMBL59823
IUPHARN/A
BindingDB50064577
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1360685-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1360665-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
136069Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
136067D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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