Molecule Details
| InChIKey | CFJMRBQWBDQYMK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Carbetapentane |
| Canonical SMILES | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11186 |
|---|---|
| Drug Name | Pentoxyverine |
| CAS Number | 77-23-6 |
| Groups | approved withdrawn |
| ATC Codes | R05DB05 |
| Description | Pentoxyverine, also referred to as carbetapentane, is a non-opioid central acting antitussive with antimuscarinic, anticonvulsant [A32717], and local anesthetic properties. It is an active ingredient in over-the-counter cough suppressants in combination with guaifenesin and H1-receptor antagonists [... |
Categories: Antitussive Agents Central Nervous System Agents Cough and Cold Preparations Cycloparaffins Respiratory System Agents
Cross-references: BindingDB: 94507 ChEBI: 94484 CHEMBL73234 ChemSpider: 2464 Drugs Product Database (DPD): 6009 PubChem:2562 PubChem:347827938 RxCUI: 20217 Wikipedia: Pentoxyverine ZINC: ZINC000003830375
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.7 | Ki | ChEMBL;BindingDB |
| P42785 | PRCP | Homo sapiens | Human | PF05577 | 7.5 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P41145 | OPRK1 | Kappa-type opioid receptor | agonist | targets |
| Q99720 | SIGMAR1 | Sigma non-opioid intracellular receptor 1 | agonist | targets |
| P35372 | OPRM1 | Mu-type opioid receptor | antagonist | targets |
| P35498 | SCN1A | Voltage-gated sodium channel alpha subunit | inhibitor | targets |
| Q12809 | KCNH2 | Voltage-gated inwardly rectifying potassium channel KCNH2 | inhibitor | targets |