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Compound Detail

CHEMBL4643515

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COc1ccccc1Nc1nccc(-c2cnn3ncccc23)n1

Basic Information

ChEMBL ID CHEMBL4643515
Phase Preclinical
Structure Type MOL
InChI Key YGMXORJQVSUUBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.94
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.62
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 C17H14N6O
MW 318.34
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.86 6.86 137.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32832032 10.1021/acsmedchemlett.0c00279 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine