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Compound Detail

CHEMBL145885

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O=C(/C=C/c1cc(C(=O)c2ccccc2)cn1-c1ccccc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145885
Phase Preclinical
Structure Type MOL
InChI Key BNSOSCKKJADEKN-VAWYXSNFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.23
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.33
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 C20H16N2O3
MW 332.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.51

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14613312 10.1021/jm0303094 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine