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Ligand

NameSMR000046751
Molecular formulaC23H23N5O3
IUPAC nameN-(2,6-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetamide
Molecular weight417.469
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsMLS000041423
AKOS022126031
N-(2,6-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetamide
HMS2290O09
STL348912
[ Show all ]
Inchi KeyAFSSXJXJTNEKBW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N5O3/c1-14-8-7-9-15(2)21(14)25-20(29)13-31-28-22(30)18-10-5-6-11-19(18)24-23(28)27-17(4)12-16(3)26-27/h5-12H,13H2,1-4H3,(H,25,29)
PubChem CID665696
ChEMBLCHEMBL1544623
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
4446Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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