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Ligand

NameSCHEMBL3308427
Molecular formulaC23H23NO3
IUPAC name2-[[2-[(E)-2-cyclopropylethenyl]-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight361.441
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
Synonyms2-[2-((E)-2-cyclopropyl-vinyl)-3-methyl-benzoylamino]-indan-2-carboxylic acid
MCKNHMQFPZQZNR-VAWYXSNFSA-N
CHEMBL3718838
Inchi KeyMCKNHMQFPZQZNR-VAWYXSNFSA-N
Inchi IDInChI=1S/C23H23NO3/c1-15-5-4-8-20(19(15)12-11-16-9-10-16)21(25)24-23(22(26)27)13-17-6-2-3-7-18(17)14-23/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,24,25)(H,26,27)/b12-11+
PubChem CID25160796
ChEMBLCHEMBL3718838
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
527362C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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