Compound Detail
CHEMBL3353410
OSIMERTINIB 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
Basic Information
| ChEMBL ID | CHEMBL3353410 |
| Name | OSIMERTINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DUYJMQONPNNFPI-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
54
Targets
654
Activities
4
Assay Types
30
PK Parameters
20
Publications
6
Known Names
12
Indications
1
Mechanisms
Molecular Properties
499.6
MW (Da)
4.51
ALogP
8
HBA
2
HBD
87.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Epidermal growth factor receptor erbB1 inhibitor | INHIBITOR | Epidermal growth factor receptor | ✓ | ✓ |
Indications
Neoplasms Neoplasms Carcinoma, Non-Small-Cell Lung Lung Neoplasms Lung Neoplasms Adenocarcinoma Adenocarcinoma of Lung Carcinoma Carcinoma, Squamous Cell Colorectal Neoplasms Glioblastoma Brain Neoplasms
ATC Classification
L01EB04
osimertinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 594 meas. best 10.96
EC50 37 meas. best 8.7
Ki 17 meas. best 8.82
Kd 6 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-9 CHEMBL614102 | IC50 | 10.96 | 7.3865 | 0.0 | 23 |
| NCI-H1975 CHEMBL614348 | IC50 | 10.96 | 7.2267 | 0.0 | 69 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 10.7 | 7.8158 | 0.0 | 225 |
| Unchecked CHEMBL612545 | IC50 | 9.46 | 6.8608 | 0.3 | 60 |
| NCI-H292 CHEMBL614733 | IC50 | 9.03 | 6.8375 | 0.9 | 4 |
| HCC827 CHEMBL4296422 | IC50 | 9.01 | 8.0326 | 1.0 | 23 |
| von Hippel-Lindau disease tumor suppressor/EGFR CHEMBL4523998 | IC50 | 9.0 | 8.76 | 1.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | Ki | 8.82 | 7.9465 | 1.5 | 17 |
| A549 CHEMBL392 | IC50 | 8.81 | 6.1197 | 1.6 | 29 |
| BaF3 CHEMBL614524 | IC50 | 8.7 | 6.6468 | 2.0 | 47 |
| Epidermal growth factor receptor CHEMBL203 | EC50 | 8.7 | 6.7795 | 2.0 | 21 |
| A-431 CHEMBL614069 | IC50 | 8.69 | 6.1206 | 2.0 | 33 |
| Receptor tyrosine-protein kinase erbB-3 CHEMBL5838 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| MGH121 CHEMBL6066770 | IC50 | 8.59 | 6.865 | 2.6 | 2 |
| BaF3 CHEMBL614524 | EC50 | 8.49 | 7.3033 | 3.2 | 6 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Epidermal growth factor receptor CHEMBL3608 | IC50 | 8.05 | 7.57 | 9.0 | 2 |
| Cysteine--tRNA ligase, cytoplasmic CHEMBL4105937 | Kd | 7.92 | 7.92 | 12.0 | 1 |
| Lymphoma cell line CHEMBL614114 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
| BC CHEMBL613535 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 7.82 | 7.26 | 15.0 | 2 |
| NCI-H1975 CHEMBL614348 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 7.56 | 7.56 | 27.6 | 1 |
| Non-small cell lung cancer cell line CHEMBL615002 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| CL97 CHEMBL4513122 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | EC50 | 6.91 | 6.91 | 122.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | Kd | 6.81 | 6.81 | 155.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 6.75 | 6.75 | 177.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 6.52 | 5.76 | 300.0 | 5 |
| Tyrosine-protein kinase Tec CHEMBL4246 | Kd | 6.49 | 6.49 | 321.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.38 | 6.38 | 415.9 | 1 |
| LoVo CHEMBL614721 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | Kd | 6.28 | 6.28 | 525.0 | 1 |
| KG-1 CHEMBL612264 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.24 | 5.2733 | 570.0 | 3 |
| HT-29 CHEMBL384 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| A-431 CHEMBL614069 | EC50 | 6.17 | 6.1075 | 670.0 | 4 |
| Calu-3 CHEMBL614534 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 6.04 | 6.04 | 912.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.01 | 5.875 | 975.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.94 | 5.6067 | 1160.0 | 3 |
| EA.hy 926 CHEMBL4296410 | IC50 | 5.93 | 5.93 | 1161.0 | 1 |
| MDA-MB-468 CHEMBL614335 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.79 | 5.65 | 1605.0 | 2 |
| EML4-ALK CHEMBL3883330 | EC50 | 5.76 | 5.76 | 1748.0 | 1 |
| A549 CHEMBL392 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
| HK-2 CHEMBL4296428 | IC50 | 5.67 | 5.5775 | 2138.0 | 4 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.62 | 5.46 | 2399.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 699.47 | ng.hr.mL-1 | Mus musculus |
| AUC | 937.3 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 954.3 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 141.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 152.7 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 883.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 929.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 796.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 974.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 33.62 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 764.42 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 691.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1538.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.045 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.2 | L/hr | Homo sapiens |
| CL | 51.0 | mL.min-1.g-1 | Mus musculus |
| CL | 4.1 | mL.min-1.g-1 | Homo sapiens |
| CL | 228.4 | mL.min-1.kg-1 | Mus musculus |
| CL | 40.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 95.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 29.7 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 110.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 62100.0 | mL.min-1.g-1 | Mus musculus |
| CL | 37600.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 53200.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 41700.0 | mL.min-1.g-1 | Macaca fascicularis |
| CL | 8100.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 21.4 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 380.0 | nM | Mus musculus |
| Cmax | 222.17 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine