Compound Detail
CHEMBL2105719
DACOMITINIB 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2105719 |
| Name | DACOMITINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BSPLGGCPNTZPIH-IPZCTEOASA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL2110732 |
| Active Moiety | CHEMBL2110732 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names
2
Indications
3
Mechanisms
Molecular Properties
469.9
MW (Da)
5.16
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Epidermal growth factor receptor erbB1 inhibitor | INHIBITOR | Epidermal growth factor receptor | ✓ | ✓ |
| Receptor protein-tyrosine kinase erbB-2 inhibitor | INHIBITOR | Receptor tyrosine-protein kinase erbB-2 | ✓ | ✓ |
| Receptor protein-tyrosine kinase erbB-4 inhibitor | INHIBITOR | Receptor tyrosine-protein kinase erbB-4 | ✓ | ✓ |
Indications
Carcinoma, Non-Small-Cell Lung Neoplasms
ATC Classification
L01EB07
dacomitinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of GST-tagged EGFR expressed in sf9 cells by ELISA | 22621397 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of GST-tagged ErbB2 expressed in sf9 cells by ELISA | 22621397 |
| Receptor tyrosine-protein kinase erbB-4 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of GST-tagged ErbB4 expressed in sf9 cells by ELISA | 22621397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22621397 | 10.1021/jm3003203 | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 22621397 | 10.1021/jm3003203 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 22621397 | 10.1021/jm3003203 | Epidermal growth factor receptor | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine