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Compound Detail

CHEMBL520929

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NC(=O)c1csc2c3c([nH]c12)C(=O)NCC/C3=C1/NC(N)=NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520929
Phase Preclinical
Structure Type MOL
InChI Key JTECAAJLQONXCB-YWEYNIOJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
-0.38
ALogP
6
HBA
5
HBD
155.5
PSA (Ų)
0.45
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 C14H12N6O3S
MW 344.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.31

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
 IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Chk1 IC50 = 150.0 nM 6.82 Inhibition of CHK1 19111462

Literature References

PubMed DOI Target Context # Activities
19111462 10.1016/j.bmcl.2008.12.001 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine