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Compound Detail

CHEMBL4169931

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O=C(O)c1ccc(CN(CCCCO)C(=O)Nc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169931
Phase Preclinical
Structure Type MOL
InChI Key RKWRXHXVHZZYAD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.19
ALogP
3
HBA
3
HBD
89.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O4
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
29057046 10.1021/acsmedchemlett.7b00223 Histone deacetylase 6 2
29057046 10.1021/acsmedchemlett.7b00223 Histone deacetylase 1 1

Data from ChEMBL 36 via Core Engine