Molecule Details
| InChIKey | BKVIWGRFRKLFIO-UHFFFAOYSA-N |
|---|---|
| Compound Name | RS-39604 |
| Canonical SMILES | COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.34 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17050 |
|---|---|
| Drug Name | RS-39604 |
| CAS Number | 161362-65-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | RS-39604 is a selective 5-HT4 receptor antagonist.[A253112] |
Categories: Alkanes Hydrocarbons, Acyclic
Cross-references: BindingDB: 82273 ChEBI: 64083 CHEMBL66114 ChemSpider: 4319521 ZINC: ZINC000026267226
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.1 | Ki | BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 6.0 | Ki | BindingDB |
| P11314 | S2 | Reovirus type 1 (strain Lang) | Pathogen | PF03084 | 7.8 | Ki | BindingDB |
| P03528 | S1 | Reovirus type 3 (strain Dearing) | Pathogen | PF01664 | 6.8 | Ki | BindingDB |