Molecule Details
| InChIKey | JMGXJHWTVBGOKG-UHFFFAOYSA-N |
|---|---|
| Compound Name | TG 100801 |
| Canonical SMILES | Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.52 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05075 |
|---|---|
| Drug Name | TG-100801 |
| CAS Number | 867331-82-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | TG100801 is a topically applied kinase inhibitor in macular degeneration patients. It is administered noninvasively as an eye drop and is designed to suppress VEGF mediated leakage and additional kinase targets associated with inflammation, edema, and angiogenesis which are the pathological hallmark... |
Categories: Benzene Derivatives
Cross-references: BindingDB: 97971 CHEMBL403989 ChemSpider: 10147091 PubChem:11973736 PubChem:347827709 ZINC: ZINC000029136020
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 7.2 | Kd | ChEMBL |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.0 | Kd | ChEMBL |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.7 | Kd | ChEMBL |
| Q13705 | ACVR2B | Homo sapiens | Human | PF01064 PF00069 | 6.4 | Kd | ChEMBL |
| P37173 | TGFBR2 | Homo sapiens | Human | PF08917 PF07714 | 6.2 | Kd | ChEMBL |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.2 | Kd | ChEMBL |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P17948 | FLT1 | Vascular endothelial growth factor receptor 1 | binder | targets |
| P35916 | FLT4 | Vascular endothelial growth factor receptor 3 | binder | targets |
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | binder | targets |
| P41240 | CSK | Tyrosine-protein kinase CSK | binder | targets |
| O43915 | O43915 | Vascular endothelial growth factor D | inhibitor | targets |
| P15692 | VEGFA | Vascular endothelial growth factor A, long form | inhibitor | targets |
| P49765 | P49765 | Vascular endothelial growth factor B | inhibitor | targets |
| P49767 | P49767 | Vascular endothelial growth factor C | inhibitor | targets |