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Compound Detail

CHEMBL4878260

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CCOC(=O)Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCCCC2

Basic Information

ChEMBL ID CHEMBL4878260
Phase Preclinical
Structure Type MOL
InChI Key WOERTJPEDOUEDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.40
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.60
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 C19H21F3N2O2
MW 366.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 2
CHEMBL1250402
IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33784097 10.1021/acs.jmedchem.0c02129 Transient receptor potential cation channel subfamily M member 2 2

Data from ChEMBL 36 via Core Engine