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Ligand

NameSCHEMBL3313970
Molecular formulaC22H22F3NO4
IUPAC name2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-5-(trifluoromethyl)-1,3-dihydroindene-2-carboxylic acid
Molecular weight421.416
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.7
SynonymsCHEMBL3715190
2-(2-Isopropoxy-3-methyl-benzoylamino)-5-trifluoromethyl-indan-2-carboxylic acid
PMGMYYQMBLQSCM-UHFFFAOYSA-N
Inchi KeyPMGMYYQMBLQSCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22F3NO4/c1-12(2)30-18-13(3)5-4-6-17(18)19(27)26-21(20(28)29)10-14-7-8-16(22(23,24)25)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,26,27)(H,28,29)
PubChem CID25160543
ChEMBLCHEMBL3715190
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
529079C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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