Compound Detail
CHEMBL4763699
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Basic Information
| ChEMBL ID | CHEMBL4763699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYHQCZHRWWIALT-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
1.43
ALogP
8
HBA
2
HBD
96.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase CHEMBL3855 | IC50 | 8.36 | 8.36 | 4.4 | 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 | = | 4.42 | nM | 8.36 | Inhibition of histidine-tagged Pseudomonas aeruginosa LpxC (1-303) expressed in ... | 33210531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33210531 | 10.1021/acs.jmedchem.0c01215 | Pseudomonas aeruginosa | 3 |
| 33210531 | 10.1021/acs.jmedchem.0c01215 | Klebsiella pneumoniae | 1 |
| 33210531 | 10.1021/acs.jmedchem.0c01215 | Escherichia coli | 1 |
| 33210531 | 10.1021/acs.jmedchem.0c01215 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | 1 |
Data from ChEMBL 36 via Core Engine