Molecule Details
| InChIKey | CTCHAYJBEBAVDT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2,2,4-Trimethyl-5-(3-trifluoromethyl-phenyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene |
| Canonical SMILES | CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccccc1-3 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.78 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 8.6 | Ki | ChEMBL;BindingDB |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 8.6 | pIC50 | TTD_MultiTarget |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 6.8 | IC50 | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 6.3 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.6 | pIC50 | TTD_MultiTarget |