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Compound Detail

CHEMBL5075016

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Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2nc(C)cc2C)n1

Basic Information

ChEMBL ID CHEMBL5075016
Phase Preclinical
Structure Type MOL
InChI Key MUODWQJJYZZWMD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
4.35
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F3N5
MW 347.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.24

Activity Summary

EC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 2
CHEMBL2547
EC50 5.46 5.46 3450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34962403 10.1021/acs.jmedchem.1c01473 Small conductance calcium-activated potassium channel protein 2 1

Data from ChEMBL 36 via Core Engine