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Compound Detail

CHEMBL469564

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CCOC(=O)c1cc(COc2ccc(F)cc2C)nc(N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469564
Phase Preclinical
Structure Type MOL
InChI Key YYAUUBAJYKASQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.12
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN2O4
MW 374.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
19297156 10.1016/j.bmcl.2009.02.115 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
19297156 10.1016/j.bmcl.2009.02.115 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine