Molecule Details
| InChIKey | XJLSEXAGTJCILF-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | O=C(O)C1CCCNC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.48 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08849 |
|---|---|
| Drug Name | Nipecotic acid |
| CAS Number | 498-95-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Piperidines
Cross-references: BindingDB: 50020888 ChEBI: 116931 CHEMBL277498 ChemSpider: 4342 Wikipedia: Nipecotic_acid ZINC: ZINC000003861497
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30531 | SLC6A1 | Homo sapiens | Human | PF00209 | 8.0 | IC50 | ChEMBL |
| A0A045J7I4 | yrdA | Mycobacterium tuberculosis | Pathogen | — | 7.0 | Ki | BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P0DMS8 | ADORA3 | Adenosine receptor A3 | inhibitor | targets |
| P30531 | SLC6A1 | Sodium- and chloride-dependent GABA transporter 1 | inhibitor | targets |
| P48066 | SLC6A11 | Sodium- and chloride-dependent GABA transporter 3 | inhibitor | targets |
| P80404 | ABAT | 4-aminobutyrate aminotransferase, mitochondrial | inhibitor | targets |
| Q7Z2H8 | Q7Z2H8 | Proton-coupled amino acid transporter 1 | binder | transporters |