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Compound Detail

CHEMBL5406791

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CCOC(=O)CNc1cc(C(=O)OC)cc2c(C(C)=O)c(C)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5406791
Phase Preclinical
Structure Type MOL
InChI Key YPFSUTHUVBQVJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.44
ALogP
6
HBA
2
HBD
97.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O5
MW 332.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
37951134 10.1016/j.bmc.2023.117440 Unchecked 2

Data from ChEMBL 36 via Core Engine