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Compound Detail

CHEMBL4239814

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CC(=O)C1=NN(c2cc(C)ccc2F)C[C@]1(CCCN(C)C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4239814
Phase Preclinical
Structure Type MOL
InChI Key FTEPMVFWUZEGMB-HSZRJFAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.18
ALogP
4
HBA
0
HBD
35.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28FN3O
MW 381.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kinesin-like protein KIF11
CHEMBL4581
 IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kinesin-like protein KIF11 IC50 = 0.2 nM 9.7 Inhibition EG5 (unknown origin) 30055887

Literature References

PubMed DOI Target Context # Activities
30055887 10.1016/j.bmcl.2018.07.007 Kinesin-like protein KIF11 1

Data from ChEMBL 36 via Core Engine