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
Weight
Average: 380.427
Monoisotopic: 380.176087483
Chemical Formula
C20H21FN6O
Synonyms
  • Selitrectinib
External IDs
  • LOXO-195

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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
ChemSpider
64853862

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceSolid Tumors Harboring NTRK Fusion1
1CompletedOtherSolid Tumors Harboring NTRK Fusion1
1, 2Active Not RecruitingTreatmentSolid Tumors Harboring NTRK Fusion1
Not AvailableNo Longer AvailableNot AvailableSolid Tumors Harboring NTRK Fusion1

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
PropertyValueSource
Water Solubility0.0815 mg/mLALOGPS
logP2.6ALOGPS
logP2.32ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)12.88ChemAxon
pKa (Strongest Basic)1.84ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area75.42 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity114.28 m3·mol-1ChemAxon
Polarizability38.66 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 14:33 / Updated at February 21, 2021 18:55