Molecule Details
| InChIKey | NKRKEQBTIYLTPA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate |
| Canonical SMILES | COC(=O)C1CCN(C(=O)c2ccc(N(CCCO)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q581W1 | Tb08.26N11.790 | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) | Pathogen | PF13561 | 7.5 | IC50 | ChEMBL |
| Q01782 | PTR1 | Leishmania major | Pathogen | PF00106 PF13561 | 6.7 | IC50 | ChEMBL |
| Q582G3 | Tb07.10C21.550 | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) | Pathogen | PF00186 PF00303 | 6.4 | IC50 | ChEMBL |
| P07382 | Leishmania major | Pathogen | PF00186 PF00303 | 6.1 | IC50 | ChEMBL |