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Compound Detail

CHEMBL492008

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N#Cc1cc([N+](=O)[O-])c2sc(C(N)=O)[n+]([O-])c2c1

Basic Information

ChEMBL ID CHEMBL492008
Phase Preclinical
Structure Type MOL
InChI Key FKRBAXZAJBBIAJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

264.2
MW (Da)
0.41
ALogP
6
HBA
1
HBD
137.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H4N4O4S
MW 264.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.10

Activity Summary

IC50 2 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK1
CHEMBL3024
IC50 5.1 5.05 8000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17028580 10.1038/nchembio826 Unchecked 7
17028580 10.1038/nchembio826 U2OS 2
18762425 10.1016/j.bmcl.2008.08.033 Serine/threonine-protein kinase PLK1 1
17028580 10.1038/nchembio826 NON-PROTEIN TARGET 1
17028580 10.1038/nchembio826 Serine/threonine-protein kinase PLK1 1

Data from ChEMBL 36 via Core Engine