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Ligand

Name478261-70-0
Molecular formulaC18H11Cl2N3OS
IUPAC name2-[(2,6-dichlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
Molecular weight388.266
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
Synonyms2-[(2,6-dichlorobenzyl)sulfanyl]-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile
BDBM50048227
ZINC4024984
CHEMBL3310768
AC1LSIPR
[ Show all ]
Inchi KeyATFOXCZQSXAQSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H11Cl2N3OS/c19-14-7-4-8-15(20)13(14)10-25-18-22-16(11-5-2-1-3-6-11)12(9-21)17(24)23-18/h1-8H,10H2,(H,22,23,24)
PubChem CID135534060
ChEMBLCHEMBL3310768
IUPHARN/A
BindingDB50048227
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
442193C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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