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Compound Detail

CHEMBL5613926

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COc1ccc2c(ccn2S(=O)(=O)c2ccc(C(=O)NN)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613926
Phase Preclinical
Structure Type MOL
InChI Key JUDFDZCQNLICNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.49
ALogP
6
HBA
2
HBD
103.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O4S
MW 345.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
39256214 10.1021/acs.jmedchem.4c01367 Histone deacetylase 1 2
39256214 10.1021/acs.jmedchem.4c01367 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine