| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | OEI6OOU6IK |
| InChI Key | LPFWVDIFUFFKJU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C23H21Cl2FN4O3 |
| Molecular Weight | 491.35 |
| AlogP | 5.38 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 76.58 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 33.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Epidermal growth factor receptor inhibitor | PubMed |
| Primary Target | |
|---|---|
| epidermal growth factor receptor | |
| erb-b2 receptor tyrosine kinase 2 | |
| erb-b2 receptor tyrosine kinase 4 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase EGFR family
|
- | 0-4 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
| Adenocarcinoma of Lung | 2 | D000077192 | ClinicalTrials |
| Esophageal Neoplasms | 2 | D004938 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Stomach Neoplasms | 1 | D013274 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1092364-38-9 |
| ChEMBL | CHEMBL3545154 |
| DrugBank | DB12114 |
| EPA CompTox | DTXSID80148853 |
| FDA SRS | OEI6OOU6IK |
| Guide to Pharmacology | 7903 |
| PubChem | 25127713 |
| SureChEMBL | SCHEMBL3391764 |
| ZINC | ZINC000095930125 |