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Ligand

NameSCHEMBL17077170
Molecular formulaC30H21F3N6O2S2
IUPAC name1-[2-[5-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
Molecular weight618.653
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP7.5
SynonymsUS9540323, 182
Inchi KeyAFKOJSSQMMFGLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H21F3N6O2S2/c1-30(2)13-39(25-20(40)12-15(32)23(24(25)30)27-34-18-11-14(31)7-9-21(18)42-27)19-6-4-3-5-16(19)35-28(41)38-29-36-17-8-10-22(33)37-26(17)43-29/h3-12,40H,13H2,1-2H3,(H2,35,36,38,41)
PubChem CID136970175
ChEMBLN/A
IUPHARN/A
BindingDB260981
DrugBankN/A

Structure

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2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
557406P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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