Molecule Details
| InChIKey | WDXRGPWQVHZTQJ-OSJVMJFVSA-N |
|---|---|
| Compound Name | Guggulsterone |
| Canonical SMILES | C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75469 | NR1I2 | Homo sapiens | Human | PF00104 PF00105 | 8.6 | IC50 | ChEMBL |
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 7.4 | Ki | ChEMBL |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 6.6 | Ki | ChEMBL |
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 6.4 | IC50 | ChEMBL |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 6.3 | IC50 | ChEMBL |