Molecule Details
| InChIKey | SXLRRSVMGDBJCS-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]-1-benzothiophene-2-carboxamide |
| Canonical SMILES | CCCCCc1ccc(C(=O)N(Cc2ccc(NC(=O)c3cc4ccccc4s3)cc2)C2CCN(CCC(C)C)CC2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.9 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 7.5 | IC50 | ChEMBL;BindingDB |
| P39898 | PMI | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q17SB2 | Plasmodium falciparum | Pathogen | PF00026 | 6.6 | IC50 | ChEMBL | |
| Q8IM16 | PMIV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 6.6 | IC50 | BindingDB |