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Compound Detail

CHEMBL5172000

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CCOC(=O)Nc1ccc2[nH]c(-c3ccc(OC)cc3)cc2c1

Basic Information

ChEMBL ID CHEMBL5172000
Phase Preclinical
Structure Type MOL
InChI Key JCDSCEOIUDLLDC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.41
ALogP
3
HBA
2
HBD
63.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O3
MW 310.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.15

Activity Summary

EC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2476
EC50 5.07 5.07 8590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35671848 10.1016/j.bmcl.2022.128841 Potassium voltage-gated channel subfamily KQT member 2 3
35671848 10.1016/j.bmcl.2022.128841 Unchecked 2

Data from ChEMBL 36 via Core Engine