Molecule Details
| InChIKey | QQLKULDARVNMAL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Icotinib |
| Canonical SMILES | C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11737 |
|---|---|
| Drug Name | Icotinib |
| CAS Number | 610798-31-7 |
| Groups | investigational |
| ATC Codes | L01EB08 |
| Description | Icotinib is a potent and specific epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI) Icotinib was approved in China by the SFDA in June, 2011 and in January 2014, Beta Pharma, Inc. was given a “May Proceed” from the US FDA to conduct a Phase I study for the evaluation of icotini... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Crown Compounds Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inducers Cytochrome P-450 CYP3A5 Inducers (moderate) Cytochrome P-450 CYP3A5 Inducers (weak) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors Ethers Ethers, Cyclic Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 50391089 CHEMBL2087361 ChemSpider: 10762174 PharmGKB: PA166114460 PubChem:22024915 PubChem:347828095 Wikipedia: Icotinib ZINC: ZINC000043207566
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.7 | IC50 | ChEMBL;BindingDB |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 6.6 | Kd | ChEMBL |
| P49589 | CARS1 | Homo sapiens | Human | PF01406 | 6.2 | Kd | ChEMBL |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inducer | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P00533 | EGFR | Epidermal growth factor receptor | antagonist | targets |