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Compound Detail

CHEMBL2403456

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CN(C(=O)CCc1ccccc1)c1ccc2cc(C(=O)NO)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403456
Phase Preclinical
Structure Type MOL
InChI Key DVLQUQSUVWDTKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.62
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O3S
MW 354.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
23768910 10.1016/j.bmcl.2013.05.053 Histone deacetylase 2
23768910 10.1016/j.bmcl.2013.05.053 No relevant target 1
23768910 10.1016/j.bmcl.2013.05.053 HCT-116 1

Data from ChEMBL 36 via Core Engine