Molecule Details
| InChIKey | AVUUHIYJPTWYNX-UHFFFAOYSA-N |
|---|---|
| Compound Name | US8933228, Ref 2 |
| Canonical SMILES | COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.79 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.5 | IC50 | BindingDB |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.3 | Kd | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9Y4P1 | ATG4B | Homo sapiens | Human | PF20166 PF03416 | 8.3 | Kd | BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 7.4 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |