Molecule Details
| InChIKey | AXIUXECRTOGILY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl- |
| Canonical SMILES | CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.74 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 7.0 | Ki | ChEMBL;BindingDB |
| P00381 | folA | Lacticaseibacillus casei | Pathogen | PF00186 | 8.5 | Ki | BindingDB |
| A7UD81 | DHFR-TS | Plasmodium falciparum | Pathogen | PF00186 PF00303 | 8.4 | Ki | BindingDB |
| P13922 | Plasmodium falciparum (isolate K1 / Thailand) | Pathogen | PF00186 PF00303 | 7.0 | Ki | ChEMBL;BindingDB |