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Compound Detail

CHEMBL4483653

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COc1ccc2c3ccnc(C)c3n(CCCCCC(N)=O)c2c1

Basic Information

ChEMBL ID CHEMBL4483653
Phase Preclinical
Structure Type MOL
InChI Key KKYOYFUVFJOGLN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.55
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.68
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 C19H23N3O2
MW 325.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.78 6.78 168.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32003560 10.1021/acs.jmedchem.9b01379 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 3

Data from ChEMBL 36 via Core Engine