Molecule Details
| InChIKey | ATQMRMGXINTJHV-UHFFFAOYSA-N |
|---|---|
| Compound Name | SB 224289 |
| Canonical SMILES | Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.48 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17052 |
|---|---|
| Drug Name | SB 224289 |
| CAS Number | 180083-23-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | SB-224289 is a small molecule with a high affinity for human 5-HT1B receptors.[A253122] |
Categories: Piperidines
Cross-references: BindingDB: 50084959 ChEBI: 64069 CHEMBL281350 ChemSpider: 2623391 ZINC: ZINC000001485772
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.3 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P28222 | HTR1B | 5-hydroxytryptamine receptor 1B | antagonist | targets |