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Compound Detail

CHEMBL2006493

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O=C1CCCc2oc3cc(C(F)(F)F)ccc3c(=O)c21

Basic Information

ChEMBL ID CHEMBL2006493
Phase Preclinical
Structure Type MOL
InChI Key YCBJUIHLMYFQSQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.2
MW (Da)
3.33
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9F3O3
MW 282.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.41

Activity Summary

Ki 2 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.9 6.9 125.9 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine