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Ligand

NameCHEMBL3342362
Molecular formulaC21H20F3N5O
IUPAC name4-N-(cyclopropylmethyl)-6-pyridin-2-yl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular weight415.42
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50030770
Inchi KeyINMKYWPKBFAKSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N5O/c22-21(23,24)30-16-8-6-15(7-9-16)13-27-20-28-18(17-3-1-2-10-25-17)11-19(29-20)26-12-14-4-5-14/h1-3,6-11,14H,4-5,12-13H2,(H2,26,27,28,29)
PubChem CID118716405
ChEMBLCHEMBL3342362
IUPHARN/A
BindingDB50030770
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447100G-protein coupled receptor 39Q5U431Gpr39Mus musculus (Mouse)456
447101G-protein coupled receptor 39O43194GPR39Homo sapiens (Human)453

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