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Ligand

NameCHEMBL3982735
Molecular formulaC30H38F3N3O3
IUPAC name(3R,4S)-3-[[cyclobutyl(methyl)amino]methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-N-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Molecular weight545.647
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsSCHEMBL15251147
Inchi KeyJYZOTLSAJFCLEK-ONOMSOESSA-N
Inchi IDInChI=1S/C30H38F3N3O3/c1-18(2)39-25-14-22(30(31,32)33)13-23(15-25)34-28(38)29(16-35(6)24-11-8-12-24)17-36(27(37)21(29)5)26-19(3)9-7-10-20(26)4/h7,9-10,13-15,18,21,24H,8,11-12,16-17H2,1-6H3,(H,34,38)/t21-,29-/m1/s1
PubChem CID51034895
ChEMBLCHEMBL3982735
IUPHARN/A
BindingDBN/A
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
540178Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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