Molecule Details
| InChIKey | RTIXKCRFFJGDFG-UHFFFAOYSA-N |
|---|---|
| Compound Name | Chrysin |
| Canonical SMILES | O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15581 |
|---|---|
| Drug Name | Chrysin |
| CAS Number | 480-40-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Benzopyrans Chromones Heterocyclic Compounds, Fused-Ring Pyrans
Cross-references: BindingDB: 7461 ChEBI: 75095 CHEMBL117 ChemSpider: 4444926 C10028 PDB: 57D RxCUI: 1362888 Wikipedia: Chrysin ZINC: ZINC000003872070
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16678 | CYP1B1 | Homo sapiens | Human | PF00067 | 7.7 | IC50 | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| P04798 | CYP1A1 | Homo sapiens | Human | PF00067 | 7.1 | IC50 | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL;BindingDB |
| P16152 | CBR1 | Homo sapiens | Human | PF00106 | 6.6 | IC50 | ChEMBL;BindingDB |
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 6.3 | IC50 | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.3 | IC50 | ChEMBL |
| P47989 | XDH | Homo sapiens | Human | PF01315 PF03450 PF00941 PF00111 PF01799 PF02738 PF20256 | 6.1 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |