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Compound Detail

CHEMBL244558

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CCOP(=O)(OCC)Oc1cccc(-c2nc3nc(N)nc(N)c3nc2-c2cccc(OP(=O)(OCC)OCC)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244558
Phase Preclinical
Structure Type MOL
InChI Key BCBCSFTYEDPIAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

618.5
MW (Da)
6.04
ALogP
14
HBA
2
HBD
193.1
PSA (Ų)
0.16
QED
3
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N6O8P2
MW 618.52
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.24

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