Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | YXX2180047 |
InChI Key | JYIUNVOCEFIUIU-GHMZBOCLSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H22FN9O2 |
Molecular Weight | 415.43 |
AlogP | 0.68 |
Hydrogen Bond Acceptor | 10.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 115.02 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 30.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Epidermal growth factor receptor erbB1 inhibitor | PubMed ClinicalTrials PubMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase EGFR family
|
- | 3-307 | - | 13 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL3989970 |
DrugBank | DB16228 |
FDA SRS | YXX2180047 |
Guide to Pharmacology | 9765 |
PubChem | 91668194 |
SureChEMBL | SCHEMBL16714537 |
ZINC | ZINC000231225813 |