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Compound Detail

CHEMBL4861340

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COc1ccc(-c2ccc3c(c2)[nH]c2c(NC(=O)C4CC4)nccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861340
Phase Preclinical
Structure Type MOL
InChI Key NXHXJKWUDWOOOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.74
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O2
MW 357.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.55

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