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Compound Detail

CHEMBL4873095

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COc1cnc(N(C)C)nc1-c1cnn2ncccc12

Basic Information

ChEMBL ID CHEMBL4873095
Phase Preclinical
Structure Type MOL
InChI Key YVYSDZRVXBRFFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
1.26
ALogP
7
HBA
0
HBD
68.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6O
MW 270.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 5.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 5.93 5.93 1174.9 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