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Ligand

NameSMR000028904
Molecular formulaC21H22N6O3
IUPAC name8,9-dimethoxy-N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Molecular weight406.446
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.7
Synonyms8,9-dimethoxy-2-pyridin-3-yl-N-(tetrahydrofuran-2-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine
AC1MMO5K
regid4247604
MLS000093282
MLS001367458
[ Show all ]
Inchi KeyAANGWBRVHPYSBI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N6O3/c1-28-17-9-15-16(10-18(17)29-2)24-21(23-12-14-6-4-8-30-14)27-20(15)25-19(26-27)13-5-3-7-22-11-13/h3,5,7,9-11,14H,4,6,8,12H2,1-2H3,(H,23,24)
PubChem CID3241793
ChEMBLCHEMBL1402196
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
354Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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