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Compound Detail

CHEMBL4469852

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FC(F)(F)c1nc(NCCc2cnc[nH]2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469852
Phase Preclinical
Structure Type MOL
InChI Key PIWAQDOGOFIUSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
3.03
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12F3N5
MW 307.28
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.47

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