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Compound Detail

CHEMBL1652722

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Cc1ccccc1Nc1nc(C(=O)O)cc2sccc12

Basic Information

ChEMBL ID CHEMBL1652722
Phase Preclinical
Structure Type MOL
InChI Key JPCCICVSFHLQEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
4.05
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O2S
MW 284.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II
CHEMBL2095191
IC50 6.01 6.01 970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase II IC50 = 970.0 nM 6.01 Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco... 21174434

Literature References

PubMed DOI Target Context # Activities
21174434 10.1021/jm101251q Casein kinase II 1

Data from ChEMBL 36 via Core Engine