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Compound Detail

CHEMBL5186399

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[2H]c1cc(NC(=O)OCC)c(N)c(F)c1NCc1ccc(C(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL5186399
Phase Preclinical
Structure Type MOL
InChI Key MVSMZQRRMPUGHI-WHRKIXHSSA-N
Parent Compound CHEMBL4438095
Active Moiety CHEMBL4438095
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
4.61
ALogP
4
HBA
3
HBD
76.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F4N3O2
MW 372.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.31

Activity Summary

EC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2476
EC50 6.01 6.01 980.0 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