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Compound Detail

CHEMBL4474240

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COc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc(OC)c(-n6cnnc6)c5)ccc4ncc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474240
Phase Preclinical
Structure Type MOL
InChI Key DTTCYILZCLTXPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

493.5
MW (Da)
3.60
ALogP
10
HBA
0
HBD
101.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N7O3
MW 493.53
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness -1.15

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