Compound Detail
CHEMBL411848
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O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)c1cnn[nH]1)C2=O
Basic Information
| ChEMBL ID | CHEMBL411848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDXKIQJBLHSWDS-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.24
ALogP
5
HBA
2
HBD
116.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 41000.0 | nM | 4.39 | Inhibition of beta-lactamase AmpC | 18333608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18333608 | 10.1021/jm701500e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine