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Compound Detail

CHEMBL3774877

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COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCC(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774877
Phase Preclinical
Structure Type MOL
InChI Key HJMBIWAIDCSLTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.60
ALogP
7
HBA
2
HBD
96.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O4
MW 368.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
26443078 10.1021/acs.jmedchem.5b01342 Histone deacetylase 1 1
26443078 10.1021/acs.jmedchem.5b01342 Histone deacetylase 6 1
26443078 10.1021/acs.jmedchem.5b01342 Histone deacetylase 8 1
34648295 10.1021/acs.jmedchem.1c01451 ADMET 1
34648295 10.1021/acs.jmedchem.1c01451 Histone deacetylase 1 1
34648295 10.1021/acs.jmedchem.1c01451 Histone deacetylase 6 1
34648295 10.1021/acs.jmedchem.1c01451 Tubulin 1

Data from ChEMBL 36 via Core Engine