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Compound Detail

CHEMBL4453744

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CC1CCCN(c2cc(C(F)(F)F)nc3ccccc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453744
Phase Preclinical
Structure Type MOL
InChI Key VPOXUEBSLHGYHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
4.49
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17F3N2
MW 294.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.34

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