SELITRECTINIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0J45910S3X

Structure
InChI Key OEBIHOVSAMBXIB-SJKOYZFVSA-N
Smile 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
Number of Rotational Bond 0.0
Polar Surface Area 75.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Neurotrophic tyrosine kinase receptor inhibitor ClinicalTrials PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 1-2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

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