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Compound Detail

CHEMBL4873051

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COC(=O)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4873051
Phase Preclinical
Structure Type MOL
InChI Key NFYDVYAISZMLPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.85
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.73
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 C17H15N3O3
MW 309.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.83

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