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Compound Detail

CHEMBL5398329

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COc1ccc2c3c(oc2c1)CN(CC(=O)NO)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5398329
Phase Preclinical
Structure Type MOL
InChI Key JLYFZMROBSXGRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.30
ALogP
5
HBA
2
HBD
74.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O4
MW 276.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
37498552 10.1021/acs.jmedchem.3c01008 Histone deacetylase 1 1
37498552 10.1021/acs.jmedchem.3c01008 Bel-7402 1
37498552 10.1021/acs.jmedchem.3c01008 HepG2 1
37498552 10.1021/acs.jmedchem.3c01008 Huh-7 1
37498552 10.1021/acs.jmedchem.3c01008 AML12 1

Data from ChEMBL 36 via Core Engine