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Compound Detail

CHEMBL3774413

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Cc1nc(N(C)c2cccc(OCC(=O)NO)c2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774413
Phase Preclinical
Structure Type MOL
InChI Key WQCAXVJYBDPOHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.59
ALogP
6
HBA
2
HBD
87.6
PSA (Ų)
0.55
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 C18H18N4O3
MW 338.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.31

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

Data from ChEMBL 36 via Core Engine