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Ligand

NameSCHEMBL3308180
Molecular formulaC22H21F2NO3
IUPAC name4,7-difluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight385.411
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsCHEMBL3718117
4,7-Difluoro-2-[3-methyl-2-(2-methyl-propenyl)-benzoylamino]-indan-2-carboxylic acid
HPZLAWPJQMDYKV-UHFFFAOYSA-N
Inchi KeyHPZLAWPJQMDYKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21F2NO3/c1-12(2)9-15-13(3)5-4-6-14(15)20(26)25-22(21(27)28)10-16-17(11-22)19(24)8-7-18(16)23/h4-9H,10-11H2,1-3H3,(H,25,26)(H,27,28)
PubChem CID25161298
ChEMBLCHEMBL3718117
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
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GLASS IDNameUniProtGeneSpeciesLength
525038C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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