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Compound Detail

CHEMBL489896

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COCc1csn(-c2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489896
Phase Preclinical
Structure Type MOL
InChI Key AOZSJVIPZPGRGP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
2.05
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.79
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 C11H11NO2S
MW 221.28
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19101154 10.1016/j.bmc.2008.11.079 Histone acetyltransferase KAT2B 1

Data from ChEMBL 36 via Core Engine