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Compound Detail

CHEMBL5174263

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COc1ccc2c(c1)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)[C@@H](C(C)C)N2

Basic Information

ChEMBL ID CHEMBL5174263
Phase Preclinical
Structure Type MOL
InChI Key FVDDMUCFJWZERA-LPTQZCDUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.75
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O3
MW 368.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.06

Activity Summary

EC50 1 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2476
EC50 5.65 5.65 2230.0 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