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Compound Detail

CHEMBL500183

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CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(CCO)c21

Basic Information

ChEMBL ID CHEMBL500183
Phase Preclinical
Structure Type MOL
InChI Key LGMKUVDUTQHORU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.7
MW (Da)
1.71
ALogP
6
HBA
1
HBD
77.4
PSA (Ų)
0.79
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 C14H12ClFN2O4
MW 326.71
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.71

Activity Summary

Ki 1 meas. best 5.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.93 5.93 1162.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 Ki = 1162.0 nM 5.93 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