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Ligand

NameBPTU
Molecular formulaC23H22F3N3O3
IUPAC name1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight445.442
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.1
Synonyms1-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
1-(2-[2-(t-butyl)phenoxy]pyridin-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
870544-59-5
AK689499
[ Show all ]
Inchi KeyAHFLGPTXSIRAQK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
PubChem CID11510579
ChEMBLCHEMBL2333770
IUPHAR5808
BindingDB50429537
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5499P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
5501P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
5496P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
5497P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338
5500P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
5498P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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