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Ligand

NameCHEMBL3658335
Molecular formulaC22H16BrFN2O3S
IUPAC name6-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight487.343
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsUS8981106, 152
BDBM150963
Inchi KeyAFLZPOJKVQYXHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16BrFN2O3S/c23-15-9-13-7-8-29-21(13)18(10-15)19(27)12-30-20-6-1-14(11-25-20)22(28)26-17-4-2-16(24)3-5-17/h1-6,9-11H,7-8,12H2,(H,26,28)
PubChem CID91937328
ChEMBLCHEMBL3658335
IUPHARN/A
BindingDB150963
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459259C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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