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Ligand

NameCHEMBL2180519
Molecular formulaC23H29ClN2O3S
IUPAC nameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-phenylmethanesulfonamide
Molecular weight449.006
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsN-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)(phenyl)methanesulfonamide
SCHEMBL2160438
BDBM50399249
BIPXLWDKRNNXHX-UHFFFAOYSA-N
Inchi KeyBIPXLWDKRNNXHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29ClN2O3S/c1-17(2)22(25-30(28,29)16-18-6-4-3-5-7-18)23(27)26-14-12-20(13-15-26)19-8-10-21(24)11-9-19/h3-11,17,20,22,25H,12-16H2,1-2H3
PubChem CID57888688
ChEMBLCHEMBL2180519
IUPHARN/A
BindingDB50399249
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
24650C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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