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Ligand

NameCHEMBL3658294
Molecular formulaC22H13F7N2O2S
IUPAC name6-[2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight502.407
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM150921
US8981106, 110
Inchi KeyBKGSVINMDWCMEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H13F7N2O2S/c23-16-2-4-17(5-3-16)31-20(33)12-1-6-19(30-10-12)34-11-18(32)13-7-14(21(24,25)26)9-15(8-13)22(27,28)29/h1-10H,11H2,(H,31,33)
PubChem CID91937286
ChEMBLCHEMBL3658294
IUPHARN/A
BindingDB150921
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
459440C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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