Molecule Details
| InChIKey | WVUNYSQLFKLYNI-AATRIKPKSA-N |
|---|---|
| Compound Name | Pelitinib |
| Canonical SMILES | CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 46 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.66 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05524 |
|---|---|
| Drug Name | Pelitinib |
| CAS Number | 257933-82-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Pelitinib (EKB-569) is a potent, low molecular weight, selective, and irreversible inhibitor of epidermal growth factor receptor (EGFR) that is being developed as an anticancer agent. |
Categories: Amines Antineoplastic Agents Enzyme Inhibitors ErbB Receptors, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors Quinolines
Cross-references: BindingDB: 31090 ChEBI: 38927 CHEMBL607707 ChemSpider: 4949255 PDB: 93J ZINC: ZINC000000602803
Target Activities (46)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 9.6 | pIC50 | TTD_MultiTarget |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 9.0 | IC50 | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 8.2 | Kd | ChEMBL;BindingDB |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 8.0 | Kd | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.6 | Kd | ChEMBL;BindingDB |
| Q09013 | DMPK | Homo sapiens | Human | PF08826 PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.1 | Kd | ChEMBL;BindingDB |
| Q13233 | MAP3K1 | Homo sapiens | Human | PF21040 PF00069 PF04434 | 7.0 | Kd | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL;BindingDB |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.7 | Kd | ChEMBL;BindingDB |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.6 | Kd | ChEMBL;BindingDB |
| Q92918 | MAP4K1 | Homo sapiens | Human | PF00780 PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9Y6R4 | MAP3K4 | Homo sapiens | Human | PF19431 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9P2K8 | EIF2AK4 | Homo sapiens | Human | PF12745 PF00069 PF05773 PF13393 | 6.5 | Kd | ChEMBL;BindingDB |
| O14578 | CIT | Homo sapiens | Human | PF00780 PF00169 PF00069 PF00433 | 6.5 | Kd | ChEMBL;BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Kd | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.4 | Kd | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.4 | Kd | ChEMBL;BindingDB |
| P29322 | EPHA8 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.4 | Kd | ChEMBL;BindingDB |
| P0C1S8 | WEE2 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P51955 | NEK2 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.2 | Kd | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| P30291 | WEE1 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9NYL2 | MAP3K20 | Homo sapiens | Human | PF07714 PF07647 | 6.1 | Kd | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.0 | Kd | ChEMBL;BindingDB |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| Q99640 | PKMYT1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL;BindingDB |
| P35590 | TIE1 | Homo sapiens | Human | PF00041 PF00047 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q8N752 | CSNK1A1L | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00533 | EGFR | Epidermal growth factor receptor | modulator | targets |