Molecule Details
| InChIKey | JPXZSPXKQLJMSO-SZAHLOSFSA-N |
|---|---|
| Compound Name | 1-N-(cyclopropylmethyl)-3-N-[(2S,3R)-3-hydroxy-4-[2-(3-methoxyphenyl)propan-2-ylamino]-1-phenylbutan-2-yl]-5-piperidin-1-ylbenzene-1,3-dicarboxamide |
| Canonical SMILES | COc1cccc(C(C)(C)NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)NCC3CC3)cc(N3CCCCC3)c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.87 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q17SB2 | Plasmodium falciparum | Pathogen | PF00026 | 7.5 | IC50 | ChEMBL | |
| Q8IM16 | PMIV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 7.5 | IC50 | BindingDB |
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 6.3 | IC50 | ChEMBL;BindingDB |