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Compound Detail

CHEMBL4851062

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COc1nc2ccccc2cc1-c1cnc([C@H](C)NC(=O)C2CN(C)C2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4851062
Phase Preclinical
Structure Type MOL
InChI Key KNJNHAKAIGYVER-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
2.37
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O2
MW 365.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
33854701 10.1021/acsmedchemlett.1c00074 Histone deacetylase 1 1
33854701 10.1021/acsmedchemlett.1c00074 Histone deacetylase 2 1
33854701 10.1021/acsmedchemlett.1c00074 Histone deacetylase 3 1
33854701 10.1021/acsmedchemlett.1c00074 Class 1 histone deacetylase 1

Data from ChEMBL 36 via Core Engine