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Compound Detail

CHEMBL293391

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Basic Information

ChEMBL ID CHEMBL293391
Phase Preclinical
Structure Type MOL
InChI Key LXBGSDVWAMZHDD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

82.1
MW (Da)
0.72
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H6N2
MW 82.11
Aromatic Rings 1
Heavy Atoms 6
NP-Likeness -1.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
8667357 10.1021/jm950589q No relevant target 1
2066976 10.1021/jm00111a020 No relevant target 1
9435905 10.1021/jm970488n No relevant target 1
19128860 10.1016/j.ejmech.2008.12.004 Cytochrome P450 3A4 1
- 10.6019/CHEMBL3301361 No relevant target 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine