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Ligand

NameCHEMBL3890077
Molecular formulaC27H27F5N4O2
IUPAC name(3R,4S)-N-[3-cyano-5-(trifluoromethyl)phenyl]-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight534.531
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.4
SynonymsSCHEMBL15251233
Inchi KeyBUCHSOPPEQLYRP-IQGLISFBSA-N
Inchi IDInChI=1S/C27H27F5N4O2/c1-16-5-4-6-17(2)22(16)36-14-25(18(3)23(36)37,13-35-8-7-26(28,29)15-35)24(38)34-21-10-19(12-33)9-20(11-21)27(30,31)32/h4-6,9-11,18H,7-8,13-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1
PubChem CID89799857
ChEMBLCHEMBL3890077
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
536841Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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