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Ligand

NameSCHEMBL3310806
Molecular formulaC22H25NO3
IUPAC name2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight351.446
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
SynonymsCVZZXXPJPJIHNE-UHFFFAOYSA-N
MolPort-044-725-677
2-(2-Isobutyl-3-methyl-benzoylamino)-indan-2-carboxylic acid
CHEMBL3717006
AKOS032949500
Inchi KeyCVZZXXPJPJIHNE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25NO3/c1-14(2)11-19-15(3)7-6-10-18(19)20(24)23-22(21(25)26)12-16-8-4-5-9-17(16)13-22/h4-10,14H,11-13H2,1-3H3,(H,23,24)(H,25,26)
PubChem CID25160671
ChEMBLCHEMBL3717006
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
523048C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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