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Compound Detail

CHEMBL4777757

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Cc1ccnc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777757
Phase Preclinical
Structure Type MOL
InChI Key WUZULRUPFUNYHE-VIFPVBQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.3
MW (Da)
2.68
ALogP
7
HBA
1
HBD
98.7
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 C16H15F3N6O2
MW 380.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.11

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily T member 1
CHEMBL4739688
 IC50 5.35 5.35 4466.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily T member 1 IC50 = 4466.0 nM 5.35 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