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Compound Detail

CHEMBL4783741

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C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783741
Phase Preclinical
Structure Type MOL
InChI Key AOIVCPNZJBGREF-QMMMGPOBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
3.12
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.70
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 C16H13F4N5O2
MW 383.31
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.36

Activity Summary

IC50 1 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily T member 1
CHEMBL4739688
 IC50 6.87 6.87 136.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily T member 1 IC50 = 136.0 nM 6.87 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