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Compound Detail

CHEMBL491476

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CC(=O)OCc1cc(=O)n(-c2ccccc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491476
Phase Preclinical
Structure Type MOL
InChI Key HZJCGGUJUFKGKR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
1.96
ALogP
5
HBA
0
HBD
48.3
PSA (Ų)
0.78
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 C12H11NO3S
MW 249.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.42

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