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Compound Detail

CHEMBL4794184

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O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)Nc1ccc(OC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4794184
Phase Preclinical
Structure Type MOL
InChI Key XSMOZXJXWDNWLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.3
MW (Da)
4.36
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F3N4O3
MW 414.34
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
33199203 10.1016/j.bmc.2020.115863 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine