Molecule Details
| InChIKey | FGOYNOLZZKCCHM-AJQTZOPKSA-N |
|---|---|
| Compound Name | (4S)-4-[(1R)-1-hydroxy-2-[2-(3-methoxyphenyl)propan-2-ylamino]ethyl]-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione |
| Canonical SMILES | CCCN1CCCCOc2cccc(c2)C[C@@H]([C@H](O)CNC(C)(C)c2cccc(OC)c2)NC(=O)c2cccc(c2)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.6 | IC50 | ChEMBL |
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 6.4 | IC50 | ChEMBL |
| Q8IAS0 | PMX | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 8.4 | IC50 | ChEMBL |
| Q8IM16 | PMIV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 7.2 | IC50 | ChEMBL |