SELITRECTINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 0J45910S3X

Structure

InChI Key OEBIHOVSAMBXIB-SJKOYZFVSA-N
Smiles C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1
InChI
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21FN6O
Molecular Weight 380.43
AlogP 2.67
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Polar Surface Area 75.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Neurotrophic tyrosine kinase receptor inhibitor INHIBITOR ClinicalTrials PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Sev family
- 1.15 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 0.07-110 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 274 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.07-274 - - -
Mus musculus
- 1-109 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4297627
DrugBank DB14896
FDA SRS 0J45910S3X
Guide to Pharmacology 10314
PubChem 129103609
SureChEMBL SCHEMBL18823882
CONTENTS