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Compound Detail

CHEMBL327148

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CCOC(=O)c1c(O)nc2c(C)cccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327148
Phase Preclinical
Structure Type MOL
InChI Key FRUIAYNZPKUZCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
2.13
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO4
MW 247.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
32435403 10.1021/acsmedchemlett.9b00674 Escherichia coli 3
32435403 10.1021/acsmedchemlett.9b00674 Klebsiella pneumoniae 3
32435403 10.1021/acsmedchemlett.9b00674 Acinetobacter baumannii 3
8230129 10.1021/jm00074a020 Glutamate NMDA receptor 1
32435403 10.1021/acsmedchemlett.9b00674 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine