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Compound Detail

CHEMBL3781611

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COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781611
Phase Preclinical
Structure Type MOL
InChI Key TWXINOQARJNUBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
2.30
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O4
MW 324.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00469A Ribosomal protein S6 kinase alpha-2 2

Data from ChEMBL 36 via Core Engine