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Compound Detail

CHEMBL2403463

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O=C(Cc1ncc[nH]1)Nc1ccc2cc(C(=O)NO)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403463
Phase Preclinical
Structure Type MOL
InChI Key BHJXYEREDHNZOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
1.92
ALogP
5
HBA
4
HBD
107.1
PSA (Ų)
0.44
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 C14H12N4O3S
MW 316.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.08

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