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Ligand

NameCHEMBL3334817
Molecular formulaC23H36ClN3O3
IUPAC name1-[(2S)-butan-2-yl]-3-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
Molecular weight438.009
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50056497
SCHEMBL12399114
Inchi KeyAMKRUSAWHXIGES-QUZZAMIASA-N
Inchi IDInChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19+,23-/m0/s1
PubChem CID57888907
ChEMBLCHEMBL3334817
IUPHARN/A
BindingDB50056497
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
442058C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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