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Compound Detail

CHEMBL111050

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NC(CCCCC(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL111050
Phase Preclinical
Structure Type MOL
InChI Key JUQLUIFNNFIIKC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
0.04
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H13NO4
MW 175.18
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.22

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
3079832 10.1021/jm00151a015 Escherichia coli 1
3079832 10.1021/jm00151a015 Enterobacter cloacae 1
3079832 10.1021/jm00151a015 Salmonella enteritidis 1
3079832 10.1021/jm00151a015 Serratia marcescens 1
3079832 10.1021/jm00151a015 Unchecked 1
3079832 10.1021/jm00151a015 Klebsiella pneumoniae 1
3079832 10.1021/jm00151a015 Providencia rettgeri 1
3079832 10.1021/jm00151a015 Pseudomonas aeruginosa 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 1 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 2 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 6 1
34875836 10.1021/acs.jmedchem.1c01691 Arginase-1 1

Data from ChEMBL 36 via Core Engine