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Compound Detail

CHEMBL3676272

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NC1CC(CF)CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1

Basic Information

ChEMBL ID CHEMBL3676272
Phase Preclinical
Structure Type MOL
InChI Key WROQCXULSBZMCN-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
3.86
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F3N5OS
MW 447.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.55

Activity Summary

IC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.0 9.0 1.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 8.52 8.52 3.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine