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Compound Detail

CHEMBL4745327

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CCOC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745327
Phase Preclinical
Structure Type MOL
InChI Key INUPRKJGJNZLJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22F4N2O2
MW 362.37
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intermediate conductance calcium-activated potassium channel protein 4
CHEMBL4305
 IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Intermediate conductance calcium-activated potassium channel protein 4 IC50 = 47.0 nM 7.33 Inhibition of Kca3.1 in human erythrocytes 33335651

Literature References

PubMed DOI Target Context # Activities
33335651 10.1021/acsmedchemlett.0c00569 Intermediate conductance calcium-activated potassium channel protein 4 1

Data from ChEMBL 36 via Core Engine