Molecule Details
| InChIKey | HBDSHCUSXQATPO-BGBJRWHRSA-N |
|---|---|
| Canonical SMILES | O=C1Nc2ccccc2/C1=C1Nc2ccccc2C/1=N\O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02052 |
|---|---|
| Drug Name | Indirubin-3'-monoxime |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amines Heterocyclic Compounds, Fused-Ring Hydroxylamines
Cross-references: BindingDB: 50166289 ChEBI: 43645 CHEMBL216543 ChemSpider: 21105558 PDB: IXM PubChem:5326739 PubChem:46507166 Therapeutic Targets Database: DNC000796 ZINC: ZINC000100001998
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.0 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.0 | IC50 | ChEMBL |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 7.0 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 6.4 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.4 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.4 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.4 | pIC50 | TTD_MultiTarget |
| Q86UE8 | TLK2 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.3 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| O94768 | STK17B | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P35869 | AHR | Aryl hydrocarbon receptor | agonist | targets |
| P06493 | CDK1 | Cyclin-dependent kinase 1 | binder | targets |
| P49841 | GSK3B | Glycogen synthase kinase-3 beta | binder | targets |
| Q15078 | CDK5R1 | Cyclin-dependent kinase 5 activator 1 | binder | targets |
| O14965 | AURKA | Aurora kinase A | inhibitor | targets |
| P24941 | CDK2 | Cyclin-dependent kinase 2 | inhibitor | targets |
| Q00535 | CDK5 | Cyclin-dependent kinase 5 | inhibitor | targets |
| Q96GD4 | AURKB | Aurora kinase B | inhibitor | targets |
| Q9UQB9 | AURKC | Aurora kinase C | inhibitor | targets |