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Ligand

NameCHEMBL2398754
Molecular formulaC27H33Cl2N3O3
IUPAC nameN-[(2R)-1-[(4S)-4-acetamido-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
Molecular weight518.479
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50436311
Inchi KeyCNSUJCFAXKWWJD-KCWPFWIISA-N
Inchi IDInChI=1S/C27H33Cl2N3O3/c1-17(2)23(30-24(34)19-6-10-21(28)11-7-19)25(35)32-15-14-27(31-18(3)33,26(4,5)16-32)20-8-12-22(29)13-9-20/h6-13,17,23H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t23-,27+/m1/s1
PubChem CID73345959
ChEMBLCHEMBL2398754
IUPHARN/A
BindingDB50436311
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46304C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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