Compound Detail
CHEMBL1907817
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CC(=O)NC(CSCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)[O-].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1907817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULJMRJSJBJICNW-LKYMUALQSA-M |
| Parent Compound | CHEMBL1908844 |
| Active Moiety | CHEMBL1908844 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
1.61
ALogP
5
HBA
4
HBD
132.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
12
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