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Ligand

NameCHEMBL601424
Molecular formulaC21H20N2O5
IUPAC name3-(4-benzoylpiperazin-1-yl)-5,7-dihydroxy-4-methylchromen-2-one
Molecular weight380.4
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50307027
3-(4-benzoylpiperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
Inchi KeyDBBHQQBNEWROEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N2O5/c1-13-18-16(25)11-15(24)12-17(18)28-21(27)19(13)22-7-9-23(10-8-22)20(26)14-5-3-2-4-6-14/h2-6,11-12,24-25H,7-10H2,1H3
PubChem CID45104425
ChEMBLCHEMBL601424
IUPHARN/A
BindingDB50307027
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
55504C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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