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Compound Detail

CHEMBL5624715

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COC(=O)CCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5624715
Phase Preclinical
Structure Type MOL
InChI Key VINHFGWDWDSAFY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
0.77
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O6
MW 332.31
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.47

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