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Compound Detail

CHEMBL4095306

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COc1c(C(N)=O)cc(-c2ccc3ncnc(Nc4cccc(C(=O)N5CCOCC5)c4)c3c2)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4095306
Phase Preclinical
Structure Type MOL
InChI Key DUQMMYHEVXJKBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

528.5
MW (Da)
3.53
ALogP
9
HBA
2
HBD
162.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N6O6
MW 528.53
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
28325601 10.1016/j.bmcl.2017.03.020 PI3-kinase p110-delta/p85-alpha 2

Data from ChEMBL 36 via Core Engine