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Ligand

NameMLS000557918
Molecular formulaC20H24N4O2
IUPAC nameN-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide
Molecular weight352.438
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsMCULE-8173820049
SMR000148634
AKOS005495000
BRD-A75867812-001-08-0
MolPort-002-623-999
[ Show all ]
Inchi KeyAHTCKTSEEJTFQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4O2/c1-12(2)11-24-19-15(10-14-7-6-13(3)9-16(14)21-19)18(23-24)22-20(25)17-5-4-8-26-17/h6-7,9-10,12,17H,4-5,8,11H2,1-3H3,(H,22,23,25)
PubChem CID4209814
ChEMBLCHEMBL1302024
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
5864Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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