Molecule Details
| InChIKey | IHBOEHLUIBMBMY-YPKPFQOOSA-N |
|---|---|
| Canonical SMILES | O=C1Nc2ccc(S(=O)(=O)O)cc2/C1=C1/Nc2ccccc2C1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02519 |
|---|---|
| Drug Name | Indirubin-5-sulphonate |
| CAS Number | 244021-67-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50593898 CHEMBL1208600 ChemSpider: 4450762 PDB: INR PubChem:5288641 PubChem:46507110
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.5 | pIC50 | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.5 | pIC50 | TTD_MultiTarget |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.5 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.2 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P06493 | CDK1 | Cyclin-dependent kinase 1 | binder | targets |
| P11217 | PYGM | Glycogen phosphorylase, muscle form | binder | targets |
| Q07785 | Q07785 | Cyclin-dependent kinase 2 homolog | binder | targets |
| P24941 | CDK2 | Cyclin-dependent kinase 2 | inhibitor | targets |
| Q00535 | CDK5 | Cyclin-dependent kinase 5 | inhibitor | targets |