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Compound Detail

CHEMBL3924828

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C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(CC(F)(F)F)c(NC(C)(C)C)nc34)[nH]c21

Basic Information

ChEMBL ID CHEMBL3924828
Phase Preclinical
Structure Type MOL
InChI Key UOJNFBQURVKKJP-SNVBAGLBSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
3.97
ALogP
5
HBA
3
HBD
91.8
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 C21H22F3N5O2
MW 433.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.71

Activity Summary

IC50 3 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.8 9.8 0.2 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 9.72 9.72 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine