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Compound Detail

CHEMBL2323113

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COc1ccc2c(c1)nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323113
Phase Preclinical
Structure Type MOL
InChI Key ZAEMYFFMEAIBNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
1.83
ALogP
10
HBA
0
HBD
90.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23F2N7O3
MW 447.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
23265896 10.1016/j.bmcl.2012.11.076 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
23265896 10.1016/j.bmcl.2012.11.076 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
23265896 10.1016/j.bmcl.2012.11.076 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
23265896 10.1016/j.bmcl.2012.11.076 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine