Molecule Details
| InChIKey | LTKHPMDRMUCUEB-UHFFFAOYSA-N |
|---|---|
| Compound Name | CB 3717 |
| Canonical SMILES | C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04818 | TYMS | Homo sapiens | Human | PF00303 | 7.2 | IC50 | ChEMBL;BindingDB |
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.5 | pIC50 | TTD_MultiTarget |
| C3SWJ7 | thyA | Escherichia coli | Pathogen | PF00303 | 7.7 | IC50 | ChEMBL;BindingDB |
| P00381 | folA | Lacticaseibacillus casei | Pathogen | PF00186 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 6.5 | IC50 | ChEMBL;BindingDB |