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Compound Detail

CHEMBL5424226

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CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(-c3nnn(C)n3)c2)nc1C

Basic Information

ChEMBL ID CHEMBL5424226
Phase Preclinical
Structure Type MOL
InChI Key GGXOWSHRSUEALX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
1.58
ALogP
10
HBA
2
HBD
141.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N7O4S
MW 443.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.48

Activity Summary

IC50 2 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kinesin-like protein KIFC1
CHEMBL3351200
IC50 7.57 7.32 27.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36749938 10.1021/acs.jmedchem.2c01591 Kinesin-like protein KIFC1 2
36749938 10.1021/acs.jmedchem.2c01591 Unchecked 2
36749938 10.1021/acs.jmedchem.2c01591 Kinesin-like protein KIF11 1

Data from ChEMBL 36 via Core Engine