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Compound Detail

CHEMBL4740667

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C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cnn(C)c2)no1

Basic Information

ChEMBL ID CHEMBL4740667
Phase Preclinical
Structure Type MOL
InChI Key GIKNBUXSTGVFGU-ZETCQYMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
1.71
ALogP
8
HBA
1
HBD
103.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14F3N7O2
MW 369.31
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.59

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily T member 1
CHEMBL4739688
IC50 5.58 5.58 2642.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33859800 10.1021/acsmedchemlett.0c00675 Potassium channel subfamily T member 1 1

Data from ChEMBL 36 via Core Engine