ENSARTINIB

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: Free-form
UNII: SMA5ZS5B22

Structure
InChI Key GLYMPHUVMRFTFV-QLFBSQMISA-N
Smile 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
InChI
InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H27Cl2FN6O3
Molecular Weight 561.45
AlogP 4.72
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 122.47
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR ALK tyrosine kinase receptor inhibitor Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4113131
DrugBank DB14860
FDA SRS SMA5ZS5B22
SureChEMBL SCHEMBL15131489
ZINC ZINC000199407645
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