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Compound Detail

CHEMBL1934318

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O=C(O)c1ccc2c(c1)nc(Sc1cccc(Cl)c1)c1ccncc12

Basic Information

ChEMBL ID CHEMBL1934318
Phase Preclinical
Structure Type MOL
InChI Key GOLCMMMGBUKKTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
5.29
ALogP
4
HBA
1
HBD
63.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11ClN2O2S
MW 366.83
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II alpha'/ beta
CHEMBL3883328
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22169261 10.1016/j.bmcl.2011.11.087 Casein kinase II alpha'/ beta 1

Data from ChEMBL 36 via Core Engine