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Compound Detail

CHEMBL4870311

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CCCN(c1nccc(-c2cnn3ncccc23)n1)C(C)C

Basic Information

ChEMBL ID CHEMBL4870311
Phase Preclinical
Structure Type MOL
InChI Key PSQKYBPMUJWQQM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
2.81
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 C16H20N6
MW 296.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.12 6.12 758.6 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