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Compound Detail

CHEMBL4744857

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Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744857
Phase Preclinical
Structure Type MOL
InChI Key UQFSXQGGIHHGFL-QMMMGPOBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
2.08
ALogP
8
HBA
1
HBD
111.6
PSA (Ų)
0.74
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 C15H14F3N7O2
MW 381.32
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.13

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily T member 1
CHEMBL4739688
 IC50 5.85 5.85 1410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily T member 1 IC50 = 1410.0 nM 5.85 Inhibition of recombinant wild type human KNa1.1 expressed in human HEK-TREX cel... 33859800

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