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Compound Detail

CHEMBL452887

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CCn1c(=O)[nH]c2ccccc21

Basic Information

ChEMBL ID CHEMBL452887
Phase Preclinical
Structure Type MOL
InChI Key CXUCKELNYMZTRT-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
1.35
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O
MW 162.19
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.28

Activity Summary

EC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
26288266 10.1021/acs.jmedchem.5b00446 Unchecked 4
34818008 10.1021/acs.jmedchem.1c01173 Unchecked 4
18998663 10.1021/jm800809f Small conductance calcium-activated potassium channel protein 3 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
34818008 10.1021/acs.jmedchem.1c01173 Cardiac muscle cell 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
37068385 10.1016/j.ejmech.2023.115353 Small conductance calcium-activated potassium channel protein 1 1
37068385 10.1016/j.ejmech.2023.115353 Small conductance calcium-activated potassium channel protein 2 1
37068385 10.1016/j.ejmech.2023.115353 Small conductance calcium-activated potassium channel protein 3 1

Data from ChEMBL 36 via Core Engine