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Ligand

NameSCHEMBL3310842
Molecular formulaC21H25NO4S
IUPAC name1,3-dimethyl-5-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-4,6-dihydrocyclopenta[c]thiophene-5-carboxylic acid
Molecular weight387.494
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
Synonyms5-(2-Isopropoxy-3-methyl-benzoylamino)-1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid
QFAHOVXWUGTKOF-UHFFFAOYSA-N
CHEMBL3718493
Inchi KeyQFAHOVXWUGTKOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO4S/c1-11(2)26-18-12(3)7-6-8-15(18)19(23)22-21(20(24)25)9-16-13(4)27-14(5)17(16)10-21/h6-8,11H,9-10H2,1-5H3,(H,22,23)(H,24,25)
PubChem CID59314413
ChEMBLCHEMBL3718493
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
529391C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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