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Compound Detail

CHEMBL1782506

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O=C(O)c1cc2cc(OC(F)(F)F)ccc2o1

Basic Information

ChEMBL ID CHEMBL1782506
Phase Preclinical
Structure Type MOL
InChI Key FFRXHZJRPILGIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.1
MW (Da)
3.03
ALogP
3
HBA
1
HBD
59.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5F3O4
MW 246.14
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21507633 10.1016/j.bmcl.2011.03.030 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine