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Ligand

NameMLS000682668
Molecular formulaC22H23F3N4OS
IUPAC name2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight448.508
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.1
Synonyms2,5-dimethyl-4-(4-methylpiperidino)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
EU-0099157
SR-01000590376-1
AKOS002109051
MLS-0267529.0001
[ Show all ]
Inchi KeyBKBIFNJLMCCFLF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23F3N4OS/c1-12-8-10-29(11-9-12)19-17-13(2)18(31-21(17)27-14(3)26-19)20(30)28-16-7-5-4-6-15(16)22(23,24)25/h4-7,12H,8-11H2,1-3H3,(H,28,30)
PubChem CID4137233
ChEMBLCHEMBL1406762
IUPHARN/A
BindingDB57757
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25628G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
25629Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
25627Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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