This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Selitrectinib
- DrugBank Accession Number
- DB14896
- Background
Selitrectinib is under investigation in clinical trial NCT03215511 (Phase 1/2 Study of LOXO-195 in Patients With Previously Treated NTRK Fusion Cancers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Selitrectinib (DB14896)
- Weight
- Average: 380.427
Monoisotopic: 380.176087483 - Chemical Formula
- C20H21FN6O
- Synonyms
- Selitrectinib
- External IDs
- LOXO 195
- LOXO-195
- LOXO195
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0J45910S3X
- CAS number
- 2097002-61-2
- InChI Key
- OEBIHOVSAMBXIB-SJKOYZFVSA-N
- 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
- IUPAC Name
- (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexaazapentacyclo[16.5.2.0^{2,6}.0^{7,12}.0^{21,25}]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
- SMILES
- C[C@@H]1CCC2=C(C=C(F)C=N2)[C@H]2CCCN2C2=NC3=C(C=NN3C=C2)C(=O)N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64853862
- BindingDB
- 50507492
- ChEMBL
- CHEMBL4297627
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Solid Tumors Harboring NTRK Fusion 1 1 Completed Other Solid Tumors Harboring NTRK Fusion 1 1 Completed Treatment Solid Tumors Harboring NTRK Fusion 1 Not Available No Longer Available Not Available Solid Tumors Harboring NTRK Fusion 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0815 mg/mL ALOGPS logP 2.6 ALOGPS logP 2.32 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 12.88 Chemaxon pKa (Strongest Basic) 1.84 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 75.42 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 114.28 m3·mol-1 Chemaxon Polarizability 38.66 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 14:33 / Updated at July 18, 2023 22:57