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Compound Detail

CHEMBL3896956

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Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)C(F)CO1

Basic Information

ChEMBL ID CHEMBL3896956
Phase Preclinical
Structure Type MOL
InChI Key GVRONTFMKDHPGJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
3.17
ALogP
8
HBA
3
HBD
121.1
PSA (Ų)
0.54
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 C20H21F3N6O2S
MW 466.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.02

Activity Summary

Ki 2 meas. best 10.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.82 10.82 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine