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Compound Detail

CHEMBL5274346

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CC(=O)Nc1cn2nc(-c3cnc(N)c(-c4ccccc4OC(F)(F)F)c3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274346
Phase Preclinical
Structure Type MOL
InChI Key WZZDYRNZVCKPFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
3.90
ALogP
7
HBA
2
HBD
107.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15F3N6O2
MW 428.37
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
34607244 10.1016/j.ejmech.2021.113867 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
34607244 10.1016/j.ejmech.2021.113867 A2780 1

Data from ChEMBL 36 via Core Engine