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Compound Detail

CHEMBL5630296

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COC(=O)COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630296
Phase Preclinical
Structure Type MOL
InChI Key CEWZHBDRLLHSOU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
-0.01
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O6
MW 304.26
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
37399710 10.1016/j.ejmech.2023.115604 Unchecked 2

Data from ChEMBL 36 via Core Engine