Compound Detail
CHEMBL12001
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Basic Information
| ChEMBL ID | CHEMBL12001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LALWXKAEURAMAW-TWGQIWQCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.2
MW (Da)
2.85
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidase 1 CHEMBL2626 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidase 1 | Ki | = | 60.0 | nM | 7.22 | Inhibitory activity against beta-lactamase renal dipeptidase | 3495664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3495664 | 10.1021/jm00389a018 | Dipeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine