Molecule Details
| InChIKey | LLEJIEBFSOEYIV-UHFFFAOYSA-N |
|---|---|
| Compound Name | Chelerythrine |
| Canonical SMILES | COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17024 |
|---|---|
| Drug Name | Chelerythrine |
| CAS Number | 34316-15-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | A benzophenanthridine alkaloid evaluated as a kinase-inhibitor.[A252982] |
Categories: Alkaloids Anti-Bacterial Agents Anti-Infective Agents Antineoplastic Agents Heterocyclic Compounds, Fused-Ring Phenanthridines Protein Kinase C, antagonists & inhibitors
Cross-references: BindingDB: 25524 ChEBI: 78373 CHEMBL13045 ChemSpider: 2602 C12227 PDB: CTI Wikipedia: Chelerythrine ZINC: ZINC000003872044
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.6 | IC50 | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 6.5 | Ki | ChEMBL;BindingDB |
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 6.5 | IC50 | ChEMBL;BindingDB |
| P37231 | PPARG | Homo sapiens | Human | PF00104 PF12577 PF00105 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q99572 | P2RX7 | P2X purinoceptor 7 | allosteric modulator | targets |