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Ligand

NameCHEMBL3658300
Molecular formulaC18H13FN2O3S
IUPAC nameN-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
Molecular weight356.371
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM150927
US8981106, 116
Inchi KeyBBICXYFZZZDNIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13FN2O3S/c19-13-4-6-14(7-5-13)21-18(23)12-3-8-17(20-10-12)25-11-15(22)16-2-1-9-24-16/h1-10H,11H2,(H,21,23)
PubChem CID91937292
ChEMBLCHEMBL3658300
IUPHARN/A
BindingDB150927
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
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GLASS IDNameUniProtGeneSpeciesLength
459387C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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