Molecule Details
| InChIKey | DDLZLOKCJHBUHD-WAVHTBQISA-N |
|---|---|
| Canonical SMILES | O=C1Nc2cc(Br)ccc2/C1=C1Nc2ccccc2C/1=N\O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 23 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03444 |
|---|---|
| Drug Name | 6-bromoindirubin-3'-oxime |
| CAS Number | 667463-62-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amines Glycogen Synthase Kinase 3, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring Hydroxylamines
Cross-references: BindingDB: 50012188 ChEBI: 86290 CHEMBL409450 ChemSpider: 21171550 PDB: BRW PubChem:5287844 PubChem:46507596 ZINC: ZINC000018128386
Target Activities (23)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.8 | IC50 | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.5 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.2 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.1 | IC50 | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.3 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P09917 | ALOX5 | Homo sapiens | Human | PF00305 PF01477 | 6.3 | IC50 | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
| P19525 | EIF2AK2 | Homo sapiens | Human | PF00035 PF00069 | 6.2 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.2 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P49841 | GSK3B | Glycogen synthase kinase-3 beta | binder | targets |
| O14965 | AURKA | Aurora kinase A | inhibitor | targets |
| P49840 | GSK3A | Glycogen synthase kinase-3 alpha | inhibitor | targets |
| Q96GD4 | AURKB | Aurora kinase B | inhibitor | targets |
| Q9UQB9 | AURKC | Aurora kinase C | inhibitor | targets |