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Ligand

NameSCHEMBL15597014
Molecular formulaC31H27ClF4N6O2S
IUPAC name1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[5-fluoro-7-hydroxy-3,3-dimethyl-4-[2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-2H-indol-1-yl]phenyl]urea
Molecular weight659.101
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP7.8
SynonymsUS9540323, 268
Inchi KeyACEJYDWLHGZUPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H27ClF4N6O2S/c1-15(2)42-21(13-24(40-42)31(34,35)36)25-17(33)12-22(43)27-26(25)30(3,4)14-41(27)20-8-6-5-7-18(20)37-28(44)39-29-38-19-10-9-16(32)11-23(19)45-29/h5-13,15,43H,14H2,1-4H3,(H2,37,38,39,44)
PubChem CID136268176
ChEMBLN/A
IUPHARN/A
BindingDB261047
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557343P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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