Molecule Details
| InChIKey | NFWAITKLWZRIGK-DMXDCXNVSA-N |
|---|---|
| Compound Name | oridonin derivative 32 [PMID: 38751194] |
| Canonical SMILES | C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCCC(=O)O)OC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.25 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96P20 | NLRP3 | Homo sapiens | Human | PF14484 PF13516 PF05729 PF17776 PF02758 PF17779 | 8.0 | Kd | ChEMBL |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 7.4 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 7.2 | IC50 | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.1 | IC50 | ChEMBL |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 7.0 | IC50 | ChEMBL |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.9 | IC50 | ChEMBL |