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Compound Detail

CHEMBL3676264

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CO[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1

Basic Information

ChEMBL ID CHEMBL3676264
Phase Preclinical
Structure Type MOL
InChI Key WXIKUAVDMWNARE-QWHCGFSZSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.29
ALogP
7
HBA
2
HBD
93.4
PSA (Ų)
0.63
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 C21H21F2N5O2S
MW 445.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.43

Activity Summary

IC50 3 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 7.68 7.68 21.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
IC50 7.46 7.46 35.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine