Compound Detail
CHEMBL4791421
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Basic Information
| ChEMBL ID | CHEMBL4791421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCWOCKJEECIAKP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.38
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase CHEMBL3855 | IC50 | 7.03 | 6.64 | 92.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | IC50 | = | 92.9 | nM | 7.03 | Displacement of (S)-N-(2-(N-(3-biphenyl-4-ylcarboxamido-4-(hydroxyamino)-4-oxobu... | 33210531 |
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | IC50 | = | 568.0 | nM | 6.25 | 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 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | 2 |
| 33210531 | 10.1021/acs.jmedchem.0c01215 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine