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Compound Detail

CHEMBL445189

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O=c1cc(CO)sn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445189
Phase Preclinical
Structure Type MOL
InChI Key DSKXPWWYABRVCJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
1.39
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO2S
MW 207.25
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.60

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