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Compound Detail

CHEMBL4744833

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COC(=O)N(C[C@H]1CCCN1C)C1(c2ccc(F)c(C(F)(F)F)c2)CC1

Basic Information

ChEMBL ID CHEMBL4744833
Phase Preclinical
Structure Type MOL
InChI Key QSACBKBMELRLBA-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.00
ALogP
3
HBA
0
HBD
32.8
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 C18H22F4N2O2
MW 374.38
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intermediate conductance calcium-activated potassium channel protein 4
CHEMBL4305
IC50 8.09 8.09 8.1 1

Activity Data Samples

Top measurements by pChEMBL value

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