Molecule Details
| InChIKey | ZJVFLBOZORBYFE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ibudilast |
| Canonical SMILES | CC(C)C(=O)c1c(C(C)C)nn2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05266 |
|---|---|
| Drug Name | Ibudilast |
| CAS Number | 50847-11-5 |
| Groups | investigational |
| ATC Codes | R03DC04 |
| Description | Ibudilast is an anti-inflammatory and neuroprotective oral agent which shows an excellent safety profile at 60 mg/day and provides significantly prolonged time-to-first relapse and attenuated brain volume shrinkage in patients with relapsing-remitting (RR) and/or secondary progressive (SP) multiple ... |
Categories: Anti-Asthmatic Agents Antiplatelet agents Autonomic Agents Bronchodilator Agents Cardiovascular Agents Drugs for Obstructive Airway Diseases Enzyme Inhibitors Hematologic Agents Heterocyclic Compounds, Fused-Ring Leukotriene Antagonists Peripheral Nervous System Agents Phosphodiesterase 5 Inhibitors Phosphodiesterase Inhibitors Respiratory System Agents Vasodilating Agents
Cross-references: BindingDB: 50240404 ChEBI: 31684 CHEMBL19449 ChemSpider: 3543 PDB: AVL PharmGKB: PA165958351 PubChem:3671 PubChem:99443231 Wikipedia: Ibudilast ZINC: ZINC000000004234
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P27815 | PDE4A | 3',5'-cyclic-AMP phosphodiesterase 4A | inhibitor | targets |
| Q07343 | PDE4B | 3',5'-cyclic-AMP phosphodiesterase 4B | inhibitor | targets |
| Q08493 | PDE4C | 3',5'-cyclic-AMP phosphodiesterase 4C | inhibitor | targets |
| Q08499 | PDE4D | 3',5'-cyclic-AMP phosphodiesterase 4D | inhibitor | targets |
| Q14432 | PDE3A | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | inhibitor | targets |