Compound Detail
CHEMBL4517452
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Basic Information
| ChEMBL ID | CHEMBL4517452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYNKABFXKFEOSM-WMLDXEAASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
1.08
ALogP
6
HBA
2
HBD
113.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase CHEMBL3855 | Kd | 10.2 | 10.2 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | Kd | = | 0.063 | nM | 10.2 | Binding affinity to Pseudomonas aeruginosa PAO1 NB52019 LpxC after 60 to 420 sec... | 30226381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30226381 | 10.1021/acs.jmedchem.8b01287 | Unchecked | 4 |
| 30226381 | 10.1021/acs.jmedchem.8b01287 | Pseudomonas aeruginosa | 1 |
| 30226381 | 10.1021/acs.jmedchem.8b01287 | Escherichia coli | 1 |
| 30226381 | 10.1021/acs.jmedchem.8b01287 | Klebsiella pneumoniae | 1 |
| 30226381 | 10.1021/acs.jmedchem.8b01287 | No relevant target | 1 |
| 30226381 | 10.1021/acs.jmedchem.8b01287 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | 1 |
Data from ChEMBL 36 via Core Engine