Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01ED05
UNII OSP71S83EU

Structure

InChI Key IIXWYSCJSQVBQM-LLVKDONJSA-N
Smiles C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21
InChI
InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19FN6O2
Molecular Weight 406.42
AlogP 2.8
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Polar Surface Area 110.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Target Conservation

Protein: EML4-ALK

Description: Echinoderm microtubule-associated protein-like 4

Organism : Homo sapiens

Q9HC35 ENSG00000143924
Protein: ALK tyrosine kinase receptor

Description: ALK tyrosine kinase receptor

Organism : Homo sapiens

Q9UM73 ENSG00000171094
Protein: EML4-ALK

Description: ALK tyrosine kinase receptor

Organism : Homo sapiens

Q9UM73 ENSG00000171094

Cross References

Resources Reference
ChEBI 143117
ChEMBL CHEMBL3286830
DrugBank DB12130
DrugCentral 5302
FDA SRS OSP71S83EU
Guide to Pharmacology 7476
PDB 5P8
PubChem 71731823
SureChEMBL SCHEMBL15261807
ZINC ZINC000098208524