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Compound Detail

CHEMBL497606

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O=C1S/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL497606
Phase Preclinical
Structure Type MOL
InChI Key IZDAXLSKLAFJRU-DHDCSXOGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
5.84
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11F6NO3S
MW 447.36
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 28000.0 nM 4.55 Inhibition of human recombinant Pim1 by ATP depletion assay 19072652

Literature References

PubMed DOI Target Context # Activities
19072652 10.1021/jm800937p Serine/threonine-protein kinase pim-1 1
19072652 10.1021/jm800937p Serine/threonine-protein kinase pim-2 1
19072652 10.1021/jm800937p PC-3 1

Data from ChEMBL 36 via Core Engine