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Ligand

NameCHEMBL3923540
Molecular formulaC28H34F3N3O2
IUPAC name(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Molecular weight501.594
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL15251207
Inchi KeyILWDNADJNYPTDI-NFQMXDRXSA-N
Inchi IDInChI=1S/C28H34F3N3O2/c1-5-27(17-34(25(35)20(27)4)24-18(2)9-8-10-19(24)3)26(36)32-23-14-21(16-33-11-6-7-12-33)13-22(15-23)28(29,30)31/h8-10,13-15,20H,5-7,11-12,16-17H2,1-4H3,(H,32,36)/t20-,27-/m1/s1
PubChem CID51034564
ChEMBLCHEMBL3923540
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
539434Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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