Molecule Details
| InChIKey | ZZSBPGIGIUFJRA-AKIDMACVSA-N |
|---|---|
| Compound Name | (S)-3-Hydroxy Midostaurin |
| Canonical SMILES | CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 46 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (46)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 7.8 | Kd | ChEMBL;BindingDB |
| P80192 | MAP3K9 | Homo sapiens | Human | PF07714 PF14604 | 7.8 | Kd | ChEMBL;BindingDB |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 7.8 | Kd | ChEMBL;BindingDB |
| Q9P2K8 | EIF2AK4 | Homo sapiens | Human | PF12745 PF00069 PF05773 PF13393 | 7.8 | Kd | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.4 | Kd | ChEMBL;BindingDB |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 7.2 | Kd | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 7.2 | Kd | ChEMBL;BindingDB |
| P57059 | SIK1 | Homo sapiens | Human | PF00069 PF23312 | 7.2 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.2 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.2 | Kd | ChEMBL;BindingDB |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 7.0 | Kd | ChEMBL;BindingDB |
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9Y2K2 | SIK3 | Homo sapiens | Human | PF00069 PF23312 | 6.6 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.6 | Kd | ChEMBL |
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 6.6 | Kd | ChEMBL;BindingDB |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.5 | Kd | ChEMBL;BindingDB |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.4 | Kd | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL;BindingDB |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.3 | Kd | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | Kd | ChEMBL;BindingDB |
| Q8WTQ7 | GRK7 | Homo sapiens | Human | PF00069 PF00615 | 6.3 | Kd | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.2 | Kd | ChEMBL;BindingDB |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P43403 | ZAP70 | Homo sapiens | Human | PF07714 PF00017 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 6.2 | Kd | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| O43318 | MAP3K7 | Homo sapiens | Human | PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| Q13043 | STK4 | Homo sapiens | Human | PF11629 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8N5S9 | CAMKK1 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.1 | Kd | ChEMBL;BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL;BindingDB |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL;BindingDB |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9Y2U5 | MAP3K2 | Homo sapiens | Human | PF00564 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |