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Compound Detail

CHEMBL508763

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NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1F

Basic Information

ChEMBL ID CHEMBL508763
Phase Preclinical
Structure Type MOL
InChI Key QBUKWINFURUTNN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.90
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14FN3O2S
MW 367.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK1
CHEMBL3024
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19097784 10.1016/j.bmcl.2008.11.041 Serine/threonine-protein kinase PLK1 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine