Molecule Details
| InChIKey | PLKYHUCBRLEYME-QHCPKHFHSA-N |
|---|---|
| Compound Name | 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one |
| Canonical SMILES | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 8.2 | IC50 | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |