Molecule Details
| InChIKey | PHEDXBVPIONUQT-RGYGYFBISA-N |
|---|---|
| Compound Name | Phorbol 12-myristate 13-acetate |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.79 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17045 |
|---|---|
| Drug Name | Phorbol 12-myristate 13-acetate diester |
| CAS Number | 16561-29-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Phorbol 12-myristate 13-acetate diester is an inducer of neutrophil extracellular traps (NETs).[A253087] |
Categories: Carcinogens Diterpenes Noxae Phorbol Esters Phorbols Terpenes Toxic Actions
Cross-references: ChEBI: 37537 CHEMBL279115 ChemSpider: 25977 C05151 ZINC: ZINC000008214783
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.3 | Ki | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 9.1 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | pIC50 | TTD_MultiTarget |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.7 | Ki | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.4 | Ki | ChEMBL;BindingDB |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.3 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q5JUK3 | KCNT1 | Potassium channel subfamily T member 1 | activator | targets |
| Q9HBA0 | TRPV4 | Transient receptor potential cation channel subfamily V member 4 | activator | targets |
| P48544 | KCNJ5 | G protein-activated inward rectifier potassium channel 4 | inhibitor | targets |
| Q6UVM3 | Q6UVM3 | Potassium channel subfamily T member 2 | inhibitor | targets |