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Ligand

NameSCHEMBL3306521
Molecular formulaC21H23NO3S
IUPAC name1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-4,6-dihydrocyclopenta[c]thiophene-5-carboxylic acid
Molecular weight369.479
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
Synonyms1,3-Dimethyl-5-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid
CHEMBL3719127
CGVUCVLXGMIVEB-UHFFFAOYSA-N
Inchi KeyCGVUCVLXGMIVEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23NO3S/c1-12-17-10-21(20(24)25,11-18(17)13(2)26-12)22-19(23)16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,22,23)(H,24,25)
PubChem CID59314405
ChEMBLCHEMBL3719127
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
522766C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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