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Compound Detail

CHEMBL4463104

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CC(C)Cn1cnc2c(=O)oc3cc(O)ccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463104
Phase Preclinical
Structure Type MOL
InChI Key BSSBYEKIEJROSJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.50
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.72
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 C14H14N2O3
MW 258.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.14

Activity Summary

EC50 1 meas.

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
31247373 10.1016/j.ejmech.2019.06.030 Toll-like receptor 8 1

Data from ChEMBL 36 via Core Engine