Molecule Details
| InChIKey | DUCNHKDCVVSJLG-UHFFFAOYSA-N |
|---|---|
| Compound Name | Upidosin |
| Canonical SMILES | COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21230 |
|---|---|
| Drug Name | Upidosin |
| CAS Number | 152735-23-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Upidosin is a small molecule drug. Upidosin has a monoisotopic molecular weight of 511.25 Da. |
Cross-references: BindingDB: 50057465 CHEMBL278865 ZINC: ZINC000003796141
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |