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Ligand

NameCHEMBL2401863
Molecular formulaC25H22F3N3O2S
IUPAC name3-[2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazol-5-yl]phenol
Molecular weight485.525
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP7.5
SynonymsBDBM50436900
Inchi KeyASMMSKNUMSGHJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22F3N3O2S/c1-24(2,3)17-10-4-5-12-19(17)33-22-18(11-7-13-29-22)30-23-31-21(25(26,27)28)20(34-23)15-8-6-9-16(32)14-15/h4-14,32H,1-3H3,(H,30,31)
PubChem CID73350591
ChEMBLCHEMBL2401863
IUPHARN/A
BindingDB50436900
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13285P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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