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Compound Detail

CHEMBL230437

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Oc1cccc(-c2nc3nc(NCCCN4CCOCC4)nc(NCCCN4CCOCC4)c3nc2-c2cccc(O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230437
Phase Preclinical
Structure Type MOL
InChI Key FXDKRWSYIAYFDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

600.7
MW (Da)
3.43
ALogP
12
HBA
4
HBD
141.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40N8O4
MW 600.72
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
17685602 10.1021/jm051056c Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine