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Compound Detail

CHEMBL5400660

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CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#C[C@@H](O)CO)cc1)C(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400660
Phase Preclinical
Structure Type MOL
InChI Key SGDQOWMVSKWGAT-HUUCEWRRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
-1.26
ALogP
6
HBA
6
HBD
144.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O5
MW 359.38
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.71

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
UDP-3-O-acyl-N-acetylglucosamine deacetylase
CHEMBL2163170
 IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
UDP-3-O-acyl-N-acetylglucosamine deacetylase IC50 = 12.0 nM 7.92 Inhibition of recombinant Pseudomonas aeruginosa LpxC expressed in Escherichia c... 37023679

Literature References

PubMed DOI Target Context # Activities
37023679 10.1016/j.ejmech.2023.115326 UDP-3-O-acyl-N-acetylglucosamine deacetylase 1
37023679 10.1016/j.ejmech.2023.115326 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine