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Compound Detail

CHEMBL3973281

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N[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1

Basic Information

ChEMBL ID CHEMBL3973281
Phase Preclinical
Structure Type MOL
InChI Key LOWNHMZOLNYMBM-HDJSIYSDSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
3.98
ALogP
6
HBA
2
HBD
77.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20F3N5O
MW 391.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.55

Activity Summary

IC50 5 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 8.4 8.4 4.0 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine