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Compound Detail

CHEMBL5266668

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Cc1onc(-c2ccccc2)c1C(=O)NCCCCCNC(=O)C(C)(C)S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266668
Phase Preclinical
Structure Type MOL
InChI Key XJTVLNNVIZUFGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
3.37
ALogP
5
HBA
3
HBD
84.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N3O3S
MW 389.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
33035922 10.1016/j.ejmech.2020.112887 Histone deacetylase 1 1
33035922 10.1016/j.ejmech.2020.112887 Histone deacetylase 2 1
33035922 10.1016/j.ejmech.2020.112887 Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) 1
33035922 10.1016/j.ejmech.2020.112887 Histone deacetylase 6 1

Data from ChEMBL 36 via Core Engine