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Compound Detail

CHEMBL4473510

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OCCNc1nc(C(F)(F)F)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473510
Phase Preclinical
Structure Type MOL
InChI Key KCMYIOQRVIEMEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.2
MW (Da)
2.05
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.88
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 C11H10F3N3O
MW 257.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.48

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