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Compound Detail

CHEMBL4461158

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Cn1c(=O)n(Cc2ccc(C(C)(C)C#N)cc2)c2cnc3ccc(-c4cnc5ccccc5c4)cc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461158
Phase Preclinical
Structure Type MOL
InChI Key ACUCTFNHUKNXHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
5.95
ALogP
6
HBA
0
HBD
76.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25N5O
MW 483.58
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness -0.92

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