Molecule Details
| InChIKey | PNTAECGMYJNBSW-QHCPKHFHSA-N |
|---|---|
| Compound Name | 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one |
| Canonical SMILES | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL;BindingDB |