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Compound Detail

CHEMBL205278

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Cc1ccc2c(c1C)CN(C(=O)N(C)C)CC2c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL205278
Phase Preclinical
Structure Type MOL
InChI Key RJUJNSAEJUXDQW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.95
ALogP
1
HBA
0
HBD
23.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F3N2O
MW 376.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kinesin-like protein KIF11
CHEMBL4581
 IC50 4.88 4.88 13200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kinesin-like protein KIF11 IC50 = 13200.0 nM 4.88 Inhibition of Eg5 by ATPase assay 16458511

Literature References

PubMed DOI Target Context # Activities
16458511 10.1016/j.bmcl.2006.01.056 Kinesin-like protein KIF11 1
16458511 10.1016/j.bmcl.2006.01.056 A2780 1

Data from ChEMBL 36 via Core Engine