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Compound Detail

CHEMBL4540278

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CCOC(=O)c1sc(NC(=O)[C@H](C(C)C)n2c(=O)[nH]c3ccccc3c2=O)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540278
Phase Preclinical
Structure Type MOL
InChI Key CTQQKICGMSZCJL-AWEZNQCLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
2.47
ALogP
8
HBA
2
HBD
123.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O5S
MW 430.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.56

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kinesin-like protein KIF15
CHEMBL3632454
 IC50 6.7 6.23 200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kinesin-like protein KIF15 IC50 = 200.0 nM 6.7 Inhibition of recombinant His6-tagged Kif15 (N700 residues) (unknown origin) exp... 30528696
Kinesin-like protein KIF15 IC50 = 1720.0 nM 5.76 Inhibition of recombinant C-terminal truncated His6-tagged Kif15 (N700 residues)... 30528696

Literature References

PubMed DOI Target Context # Activities
30528696 10.1016/j.bmcl.2018.12.008 Kinesin-like protein KIF15 9

Data from ChEMBL 36 via Core Engine