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Compound Detail

CHEMBL4863003

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CCCN(CCOC)c1nccc(-c2cnn3ncccc23)n1

Basic Information

ChEMBL ID CHEMBL4863003
Phase Preclinical
Structure Type MOL
InChI Key AZOBQLYUBROPJX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.05
ALogP
7
HBA
0
HBD
68.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N6O
MW 312.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.5 6.5 316.2 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