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Compound Detail

CHEMBL4859020

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COc1ccc2c(c1)[nH]c1cnc(C)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859020
Phase Preclinical
Structure Type MOL
InChI Key QPHJUARHMIHBOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
3.03
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O
MW 212.25
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
34098466 10.1016/j.ejmech.2021.113554 Glycogen synthase kinase-3 beta 2
34098466 10.1016/j.ejmech.2021.113554 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2

Data from ChEMBL 36 via Core Engine