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Compound Detail

CHEMBL2144547

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O=C1C(CO)C(CO)C(CO)C1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2144547
Phase Preclinical
Structure Type MOL
InChI Key RVZLQYRTGYZWOJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
-2.00
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H16O5
MW 204.22
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.12

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
27567076 10.1016/j.bmc.2016.08.019 Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase 2
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine