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Ligand

NameCHEMBL3969571
Molecular formulaC28H33F6N3O3
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight573.58
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.7
SynonymsSCHEMBL15251148
Inchi KeyGACORIZPPZNKIM-WXTAPIANSA-N
Inchi IDInChI=1S/C28H33F6N3O3/c1-16-8-7-9-17(2)22(16)37-14-26(18(3)23(37)39,13-36(6)25(4,5)15-38)24(40)35-21-11-19(27(29,30)31)10-20(12-21)28(32,33)34/h7-12,18,38H,13-15H2,1-6H3,(H,35,40)/t18-,26-/m1/s1
PubChem CID89799793
ChEMBLCHEMBL3969571
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
538267Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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