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Compound Detail

CHEMBL3966431

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COC(=O)Nc1cccc(NC(=O)OC)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3966431
Phase Preclinical
Structure Type MOL
InChI Key JNNLWOJZIPJIQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.35
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2O4
MW 238.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
27919656 10.1016/j.bmcl.2016.11.069 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine