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Compound Detail

CHEMBL3910462

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Oc1cc2ccccc2cc1C(O)(C(F)(F)F)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3910462
Phase Preclinical
Structure Type MOL
InChI Key RFZOXGFWJVFFKB-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

310.2
MW (Da)
3.86
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8F6O2
MW 310.19
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.11

Activity Summary

IC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 22 1
27529021 10.1039/C6MD00277C Receptor-type tyrosine-protein phosphatase C 1
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 1 1
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 11 1
27529021 10.1039/C6MD00277C Unchecked 1
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 13 1

Data from ChEMBL 36 via Core Engine