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Compound Detail

CHEMBL5201544

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O=C(NO)c1ccc(CN2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201544
Phase Preclinical
Structure Type MOL
InChI Key JKGNQKCAFBKDSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
1.79
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2O2
MW 234.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
35306288 10.1016/j.ejmech.2022.114272 Histone deacetylase 1 1
35306288 10.1016/j.ejmech.2022.114272 Histone deacetylase 6 1
35306288 10.1016/j.ejmech.2022.114272 Histone deacetylase 8 1
35306288 10.1016/j.ejmech.2022.114272 HEK293 1
35306288 10.1016/j.ejmech.2022.114272 Polyamine deacetylase HDAC10 1

Data from ChEMBL 36 via Core Engine