Molecule Details
| InChIKey | LBDNOWPWPVBZSU-URLMMPGGSA-N |
|---|---|
| Compound Name | (4S)-4-[(1R)-1-hydroxy-2-[2-(3-methoxyphenyl)propan-2-ylamino]ethyl]-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(21),6(23),7,9,18(22),19-hexaene-2,17-dione |
| Canonical SMILES | COc1cccc(C(C)(C)NC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCNC(=O)c3cccc(c3)C(=O)N2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.62 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.2 | IC50 | ChEMBL |
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 6.0 | IC50 | ChEMBL |
| Q8IAS0 | PMX | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 8.0 | IC50 | ChEMBL |
| Q8IM16 | PMIV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 6.3 | IC50 | ChEMBL |