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Ligand

NameSCHEMBL3301687
Molecular formulaC22H23NO6
IUPAC name2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid
Molecular weight397.427
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.3
SynonymsCHEMBL3714838
Inchi KeyNHTKSQOXJVOMKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23NO6/c1-12(2)29-18-13(3)5-4-6-17(18)19(24)23-22(21(27)28)10-15-8-7-14(20(25)26)9-16(15)11-22/h4-9,12H,10-11H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)
PubChem CID59314164
ChEMBLCHEMBL3714838
IUPHARN/A
BindingDBN/A
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
527920C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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