Molecule Details
| InChIKey | UBLFSMURWWWWMH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Alsterpaullone, 2-Cyanoethyl |
| Canonical SMILES | N#CCCc1ccc2c(c1)-c1[nH]c3ccc([N+](=O)[O-])cc3c1CC(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.32 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 9.6 | IC50 | BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.0 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.0 | IC50 | ChEMBL;BindingDB |