Molecule Details
| InChIKey | XYUFCXJZFZPEJD-PGRDOPGGSA-N |
|---|---|
| Compound Name | rac-syn-Balanol |
| Canonical SMILES | O=C(N[C@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.42 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04098 |
|---|---|
| Drug Name | Balanol |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Acids, Carbocyclic Benzene Derivatives Benzoates Cyclic AMP-Dependent Protein Kinases, antagonists & inhibitors Hydroxy Acids Phenols
Cross-references: BindingDB: 50285232 CHEMBL307747 ChemSpider: 23159798 PDB: BA1 PubChem:44308490 PubChem:46508378 Wikipedia: Balanol
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.5 | IC50 | ChEMBL;BindingDB |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.5 | IC50 | ChEMBL;BindingDB |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.3 | IC50 | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P17612 | PRKACA | cAMP-dependent protein kinase catalytic subunit alpha | binder | targets |
| P05129 | PRKCG | Protein kinase C gamma type | inhibitor | targets |
| P05771 | PRKCB | Protein kinase C beta type | inhibitor | targets |
| P17252 | PRKCA | Protein kinase C alpha type | inhibitor | targets |
| P68400 | CSNK2A1 | Casein kinase II subunit alpha | inhibitor | targets |