Molecule Details
| InChIKey | RJCATVYOHCZSIZ-JEZWYNFKSA-N |
|---|---|
| Compound Name | Hydroxylethylamine deriv. 23 |
| Canonical SMILES | CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 7.5 | Ki | ChEMBL;BindingDB |
| P39898 | PMI | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 8.6 | Ki | ChEMBL;BindingDB |
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 8.0 | Ki | ChEMBL;BindingDB |