Molecule Details
| InChIKey | OMZCMEYTWSXEPZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Canertinib |
| Canonical SMILES | C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 43 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05424 |
|---|---|
| Drug Name | Canertinib |
| CAS Number | 267243-28-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Canertinib is a pan-erbB tyrosine kinase inhibitor which work against esophageal squamous cell carcinoma in vitro and in vivo. Canertinib treatment significantly affects tumour metabolism, proliferation and hypoxia as determined by PET. |
Categories: Acids, Acyclic Anesthetics Antineoplastic Agents Cardiotonic Agents Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Compounds used in a research, industrial, or household setting Oxazines Peripheral Nervous System Agents Protective Agents Sensory System Agents Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 4779 ChEBI: 61399 CHEMBL31965 ChemSpider: 137741 PubChem:156414 PubChem:175427000 Wikipedia: Canertinib ZINC: ZINC000027439698
Target Activities (43)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 9.4 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.8 | pIC50 | TTD_MultiTarget |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.0 | IC50 | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | Kd | ChEMBL;BindingDB |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 7.0 | Kd | ChEMBL;BindingDB |
| O14733 | MAP2K7 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P53634 | CTSC | Homo sapiens | Human | PF08773 PF00112 | 6.9 | IC50 | ChEMBL |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 6.7 | IC50 | ChEMBL;BindingDB |
| P21860 | ERBB3 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9BUB5 | MKNK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.6 | Kd | ChEMBL;BindingDB |
| Q15375 | EPHA7 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.6 | Kd | BindingDB |
| Q9UF33 | EPHA6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.6 | Kd | ChEMBL;BindingDB |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 6.5 | Kd | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL;BindingDB |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.4 | Kd | ChEMBL;BindingDB |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.4 | Kd | ChEMBL;BindingDB |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.3 | Kd | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | Kd | ChEMBL;BindingDB |
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 6.2 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P29320 | EPHA3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 6.2 | Kd | ChEMBL;BindingDB |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 6.2 | Kd | ChEMBL |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9Y2K2 | SIK3 | Homo sapiens | Human | PF00069 PF23312 | 6.2 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| P29322 | EPHA8 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.1 | Kd | ChEMBL;BindingDB |
| P37173 | TGFBR2 | Homo sapiens | Human | PF08917 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.1 | Kd | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.1 | Kd | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00533 | EGFR | Epidermal growth factor receptor | inhibitor | targets |
| P04626 | ERBB2 | Receptor tyrosine-protein kinase erbB-2 | inhibitor | targets |
| P31749 | AKT1 | RAC-alpha serine/threonine-protein kinase | inhibitor | targets |
| Q15303 | ERBB4 | Receptor tyrosine-protein kinase erbB-4 | inhibitor | targets |