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Ligand

NameMLS-0103364.0001
Molecular formulaC22H25NO3
IUPAC name1-[3-(4-tert-butylphenoxy)propyl]-7-methylindole-2,3-dione
Molecular weight351.446
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.0
SynonymsHMS2255O14
ZINC3647810
MLS000522284
1-[3-(4-tert-butylphenoxy)propyl]-7-methyl-indole-2,3-dione
AT-057/42304537
[ Show all ]
Inchi KeyPESHQZFOQZCWKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25NO3/c1-15-7-5-8-18-19(15)23(21(25)20(18)24)13-6-14-26-17-11-9-16(10-12-17)22(2,3)4/h5,7-12H,6,13-14H2,1-4H3
PubChem CID3372218
ChEMBLCHEMBL1522544
IUPHARN/A
BindingDB83206
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
257916Apelin receptorP35414APLNRHomo sapiens (Human)380
257917C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
257918C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
257915Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
494853Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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