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Ligand

NameSCHEMBL3309928
Molecular formulaC22H25NO4
IUPAC name2-[methyl-(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight367.445
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
Synonyms2-[(2-Isopropoxy-3-methyl-benzoyl)-methyl-amino]-indan-2-carboxylic acid
CHEMBL3719022
AKRIXYOVYPURCR-UHFFFAOYSA-N
Inchi KeyAKRIXYOVYPURCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25NO4/c1-14(2)27-19-15(3)8-7-11-18(19)20(24)23(4)22(21(25)26)12-16-9-5-6-10-17(16)13-22/h5-11,14H,12-13H2,1-4H3,(H,25,26)
PubChem CID59314395
ChEMBLCHEMBL3719022
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
521668C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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