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Compound Detail

CHEMBL4852650

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CN(CCCC(F)(F)F)c1nccc(-c2cnn3ncccc23)n1

Basic Information

ChEMBL ID CHEMBL4852650
Phase Preclinical
Structure Type MOL
InChI Key FYFXCMSYSRGGCR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
2.97
ALogP
6
HBA
0
HBD
59.2
PSA (Ų)
0.72
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 C15H15F3N6
MW 336.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34342227 10.1021/acs.jmedchem.1c01115 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine