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Compound Detail

CHEMBL4559927

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Cc1ccc2oc(=O)c3ncn(CC(C)C)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4559927
Phase Preclinical
Structure Type MOL
InChI Key NYKZIJWZDGGKBQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.11
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.66
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 C15H16N2O2
MW 256.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.74

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