Molecule Details
| InChIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Apigenin |
| Canonical SMILES | O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.42 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07352 |
|---|---|
| Drug Name | Apigenin |
| CAS Number | 520-36-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Benzopyrans Chromones Flavones Flavonoids Heterocyclic Compounds, Fused-Ring Pyrans
Cross-references: BindingDB: 7458 ChEBI: 18388 CHEMBL28 ChemSpider: 4444100 Guide to Pharmacology: 4136 IUPHAR: 4136 C01477 PDB: AGI PubChem:5280443 PubChem:99443823 RxCUI: 1368130 Wikipedia: Apigenin ZINC: ZINC000003871576
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q16678 | CYP1B1 | Homo sapiens | Human | PF00067 | 7.2 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 6.9 | IC50 | ChEMBL;BindingDB |
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P04798 | CYP1A1 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL;BindingDB |
| P47989 | XDH | Homo sapiens | Human | PF01315 PF03450 PF00941 PF00111 PF01799 PF02738 PF20256 | 6.2 | IC50 | ChEMBL;BindingDB |
| P02766 | TTR | Homo sapiens | Human | PF00576 | 6.2 | IC50 | ChEMBL;BindingDB |
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 6.2 | IC50 | ChEMBL;BindingDB |
| P14061 | HSD17B1 | Homo sapiens | Human | PF00106 | 6.2 | IC50 | ChEMBL;BindingDB |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL;BindingDB |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P67870 | CSNK2B | Homo sapiens | Human | PF01214 | 6.1 | IC50 | ChEMBL |
| Q8NEV1 | CSNK2A3 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | BindingDB |
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |
| P14618 | PKM | Homo sapiens | Human | PF00224 PF02887 | 6.0 | IC50 | ChEMBL;BindingDB |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 6.9 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q5G940 | Q5G940 | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ | binder | targets |
| P10275 | AR | Androgen receptor | inhibitor | targets |
| P11511 | CYP19A1 | Aromatase | inhibitor | targets |
| P14061 | HSD17B1 | 17-beta-hydroxysteroid dehydrogenase type 1 | inhibitor | targets |
| P15121 | AKR1B1 | Aldo-keto reductase family 1 member B1 | inhibitor | targets |
| P68400 | CSNK2A1 | Casein kinase II subunit alpha | inhibitor | targets |
| Q00534 | CDK6 | Cyclin-dependent kinase 6 | inhibitor | targets |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | inhibitor | targets |