Compound Detail
CHEMBL4113131
ENSARTINIB 💊 Approved Drug
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💊 Approved Drug
C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@H](C)N1
Basic Information
| ChEMBL ID | CHEMBL4113131 |
| Name | ENSARTINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GLYMPHUVMRFTFV-QLFBSQMISA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
3
Known Names
3
Indications
1
Mechanisms
Molecular Properties
561.5
MW (Da)
4.72
ALogP
7
HBA
3
HBD
122.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2024 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| ALK tyrosine kinase receptor inhibitor | INHIBITOR | ALK tyrosine kinase receptor | ✓ | ✓ |
Indications
Carcinoma, Non-Small-Cell Lung Lung Neoplasms Melanoma
Activity Summary
IC50 2 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.13 | 9.13 | 0.7 | 1 |
| NCI-H3122 CHEMBL4296475 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 0.74 | nM | 9.13 | Inhibition of c-MET (unknown origin) by kinome scan-based assay | 31419130 |
| NCI-H3122 | IC50 | = | 15.0 | nM | 7.82 | Cytotoxicity against human NCI-H3122 cells harboring EML4-ALK E13;A20 mutant inc... | 31419130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419130 | 10.1021/acs.jmedchem.9b00446 | NCI-H3122 | 2 |
| 31419130 | 10.1021/acs.jmedchem.9b00446 | ALK tyrosine kinase receptor | 1 |
| 31419130 | 10.1021/acs.jmedchem.9b00446 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine