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Ligand

NameSCHEMBL15597046
Molecular formulaC31H29F2N5O3S
IUPAC name1-[2-[4-(2-tert-butyl-1,3-oxazol-4-yl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(6-fluoro-1,3-benzothiazol-2-yl)urea
Molecular weight589.662
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP7.5
SynonymsUS9540323, 254
Inchi KeyBRHYZZPVWGYGKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H29F2N5O3S/c1-30(2,3)27-34-20(14-41-27)24-17(33)13-22(39)26-25(24)31(4,5)15-38(26)21-9-7-6-8-18(21)35-28(40)37-29-36-19-11-10-16(32)12-23(19)42-29/h6-14,39H,15H2,1-5H3,(H2,35,36,37,40)
PubChem CID90063045
ChEMBLN/A
IUPHARN/A
BindingDB261033
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
536775P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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