Molecule Details
| InChIKey | OAVGBZOFDPFGPJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Sotrastaurin |
| Canonical SMILES | CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 42 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12369 |
|---|---|
| Drug Name | Sotrastaurin |
| CAS Number | 425637-18-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Sotrastaurin has been used in trials studying the basic science and treatment of Uveal Melanoma, Richter Syndrome, Prolymphocytic Leukemia, Recurrent Mantle Cell Lymphoma, and Recurrent Small Lymphocytic Lymphoma, among others. |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 33971 ChEBI: 90531 CHEMBL565612 ChemSpider: 8472351 PDB: LW4 PubChem:10296883 PubChem:347828620 ZINC: ZINC000003973984
Target Activities (42)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 9.0 | IC50 | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 8.9 | IC50 | ChEMBL;BindingDB |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 8.8 | Ki | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.7 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 8.7 | IC50 | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.7 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.7 | pIC50 | TTD_MultiTarget |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 7.7 | Kd | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.5 | IC50 | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 7.5 | Ki | ChEMBL |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 7.4 | Kd | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 7.2 | Ki | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 7.2 | Ki | ChEMBL |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 7.1 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.9 | Ki | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.9 | Ki | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.9 | Ki | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.8 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.8 | Ki | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.6 | Ki | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.5 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | Ki | ChEMBL |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | Ki | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.4 | Ki | ChEMBL |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.3 | Ki | ChEMBL |
| P34947 | GRK5 | Homo sapiens | Human | PF00069 PF00615 | 6.2 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.2 | Ki | ChEMBL |
| Q9HBY8 | SGK2 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.1 | Ki | ChEMBL |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 6.1 | Ki | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.0 | Ki | ChEMBL |