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Ligand

NameCHEMBL2180512
Molecular formulaC25H31ClN2O2
IUPAC nameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,6-dimethylbenzamide
Molecular weight426.985
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50399221
Inchi KeyAALMJZSDFHYBPE-HSZRJFAPSA-N
Inchi IDInChI=1S/C25H31ClN2O2/c1-16(2)23(27-24(29)22-17(3)6-5-7-18(22)4)25(30)28-14-12-20(13-15-28)19-8-10-21(26)11-9-19/h5-11,16,20,23H,12-15H2,1-4H3,(H,27,29)/t23-/m1/s1
PubChem CID71452035
ChEMBLCHEMBL2180512
IUPHARN/A
BindingDB50399221
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
305C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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