Molecule Details
| InChIKey | RSBPYSTVZQAADE-RQJHMYQMSA-N |
|---|---|
| Compound Name | Nacubactam |
| Canonical SMILES | NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.93 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15353 |
|---|---|
| Drug Name | Nacubactam |
| CAS Number | 1452458-86-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Nacubactam is under investigation in clinical trial NCT03174795 (A Study to Investigate the Pharmacokinetics of RO7079901 and Meropenem in Participants With a Complicated Urinary Tract Infection). |
Categories: Amides Aza Compounds
Cross-references: CHEMBL3989959 ChemSpider: 58827979 ZINC: ZINC000207610051
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9L5C7 | blaCTX-M-14 | Escherichia coli | Pathogen | PF13354 | 8.0 | IC50 | ChEMBL |
| Q4GY26 | blaTEM-1 | Escherichia coli | Pathogen | PF13354 | 7.6 | IC50 | ChEMBL |
| P05364 | ampC | Enterobacter cloacae | Pathogen | PF00144 | 6.1 | IC50 | ChEMBL |
| Q9F663 | KPC-2 | Klebsiella pneumoniae | Pathogen | PF13354 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00807 | blaZ | Beta-lactamase | inhibitor | targets |