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Compound Detail

CHEMBL4450071

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COc1ccc(Cn2c(=O)n(C)c3c4cc(-c5ccc6nc(NC(C)=O)sc6c5)ccc4ncc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450071
Phase Preclinical
Structure Type MOL
InChI Key MROGKLZJODIPOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
5.18
ALogP
8
HBA
1
HBD
91.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23N5O3S
MW 509.59
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
30975623 10.1016/j.bmcl.2019.04.007 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2

Data from ChEMBL 36 via Core Engine