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Compound Detail

CHEMBL4875836

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O=C(Nc1cc2c(cn1)[nH]c1cc(F)ccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875836
Phase Preclinical
Structure Type MOL
InChI Key SVSUIWCFAOGVGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
3.20
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12FN3O
MW 269.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.28

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