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Compound Detail

CHEMBL4797973

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COc1cc(-c2cnc3cc(-c4ccncc4)ccc3c2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL4797973
Phase Preclinical
Structure Type MOL
InChI Key ZGGVZWZAZUBRKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
4.99
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.49
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 C23H20N2O3
MW 372.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.39

Activity Summary

Ki 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-G-associated kinase
CHEMBL4355
Ki 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-G-associated kinase Ki = 1.5 nM 8.82 Binding affinity to GAK (unknown origin) 31129055

Literature References

PubMed DOI Target Context # Activities
31129055 10.1016/j.bmcl.2019.05.025 Cyclin-G-associated kinase 1

Data from ChEMBL 36 via Core Engine