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Ligand

NameSCHEMBL17077140
Molecular formulaC31H22ClF2N5O2S2
IUPAC name1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[5-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]urea
Molecular weight634.117
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP8.5
SynonymsUS9540323, 154
Inchi KeyBOSVWMSLOVEZGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H22ClF2N5O2S2/c1-31(2)14-39(27-22(40)13-17(34)25(26(27)31)28-35-20-12-16(33)8-10-23(20)42-28)21-6-4-3-5-18(21)36-29(41)38-30-37-19-9-7-15(32)11-24(19)43-30/h3-13,40H,14H2,1-2H3,(H2,36,37,38,41)
PubChem CID136970166
ChEMBLN/A
IUPHARN/A
BindingDB260958
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
558153P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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