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Compound Detail

CHEMBL3676262

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

Basic Information

ChEMBL ID CHEMBL3676262
Phase Preclinical
Structure Type MOL
InChI Key LQASHUDUJOBHMP-DYVFJYSZSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
2.63
ALogP
7
HBA
3
HBD
104.4
PSA (Ų)
0.59
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 C20H19F2N5O2S
MW 431.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.36

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-3
CHEMBL5407
IC50 9.0 9.0 1.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine