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Compound Detail

CHEMBL489784

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CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(Cc3cccc(O)c3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489784
Phase Preclinical
Structure Type MOL
InChI Key GHCJUDZBDUVDGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.8
MW (Da)
3.48
ALogP
6
HBA
1
HBD
77.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClFN2O4
MW 388.78
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.64

Activity Summary

Ki 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 6.57 6.57 271.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 Ki = 271.0 nM 6.57 Inhibition of Pim1 18790640

Literature References

PubMed DOI Target Context # Activities
18790640 10.1016/j.bmcl.2008.08.079 Serine/threonine-protein kinase pim-1 1
18790640 10.1016/j.bmcl.2008.08.079 Serine/threonine-protein kinase pim-2 1

Data from ChEMBL 36 via Core Engine