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Compound Detail

CHEMBL5289739

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Cc1onc(-c2ccccc2)c1COCCCCCNC(=O)[C@H](C)S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289739
Phase Preclinical
Structure Type MOL
InChI Key SXOJHTOVXGQVDN-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
3.77
ALogP
5
HBA
2
HBD
64.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N2O3S
MW 362.50
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.92

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 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