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Compound Detail

CHEMBL3972457

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FC(F)(F)c1cc(Cl)c2ncc(-c3ccc(Cl)c(Cl)c3)nc2c1

Basic Information

ChEMBL ID CHEMBL3972457
Phase Preclinical
Structure Type MOL
InChI Key WOGGGGGHQZXITR-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.6
MW (Da)
6.28
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H6Cl3F3N2
MW 377.58
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 4.3
IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kinesin-like protein KIF20B
CHEMBL2021752
IC50 4.4 4.4 40000.0 1
Kinesin family member 20B
CHEMBL3988625
EC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine