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Ligand

NameCHEMBL3921582
Molecular formulaC30H38F3N3O2
IUPAC name(3R,4S)-N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-4-methyl-3-[[methyl(2-methylpropyl)amino]methyl]-5-oxopyrrolidine-3-carboxamide
Molecular weight529.648
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.1
SynonymsSCHEMBL15251200
Inchi KeyGAAYQWRRLTXOQN-ONOMSOESSA-N
Inchi IDInChI=1S/C30H38F3N3O2/c1-18(2)15-35(6)16-29(17-36(27(37)21(29)5)26-19(3)8-7-9-20(26)4)28(38)34-25-13-23(22-10-11-22)12-24(14-25)30(31,32)33/h7-9,12-14,18,21-22H,10-11,15-17H2,1-6H3,(H,34,38)/t21-,29-/m1/s1
PubChem CID89799835
ChEMBLCHEMBL3921582
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
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GLASS IDNameUniProtGeneSpeciesLength
538265Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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