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Compound Detail

CHEMBL4468936

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C=CCn1cnc2c(=O)oc3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468936
Phase Preclinical
Structure Type MOL
InChI Key STMRJGSLWNTLRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
2.33
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.50
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 C13H10N2O2
MW 226.24
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
31247373 10.1016/j.ejmech.2019.06.030 Toll-like receptor 7 2
31247373 10.1016/j.ejmech.2019.06.030 HEK293 1

Data from ChEMBL 36 via Core Engine