Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL449816

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOC(=O)c1cc(CNc2ccc(F)cc2C)nc(N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449816
Phase Preclinical
Structure Type MOL
InChI Key NZTCAAOXNBKKDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
63.7
PSA (Ų)
0.79
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 C20H24FN3O3
MW 373.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.00

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