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Compound Detail

CHEMBL2403465

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O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2cc(C(=O)NO)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403465
Phase Preclinical
Structure Type MOL
InChI Key SSUYADPOILUFQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.93
ALogP
6
HBA
3
HBD
96.9
PSA (Ų)
0.48
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 C18H14N2O5S
MW 370.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.33

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 HCT-116 1

Data from ChEMBL 36 via Core Engine