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Compound Detail

CHEMBL2403457

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O=C(Cc1ccccn1)Nc1ccc2sc(C(=O)NO)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403457
Phase Preclinical
Structure Type MOL
InChI Key XXPSCWYHVGOBPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.60
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3O3S
MW 327.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.25

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