This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Rogaratinib
DrugBank Accession Number
DB15078
Background

Rogaratinib is under investigation in clinical trial NCT03762122 (Rogaratinib in Patients With Advanced Pretreated Squamous-cell Non-small Cell Lung Cancer (SQCLC)).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 466.56
Monoisotopic: 466.178709895
Chemical Formula
C23H26N6O3S
Synonyms
  • Rogaratinib

Pharmacology

Indication

Not Available

Pharmacology
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
Contraindications
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
Adverseeffects
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Pyrrolo[2,1-f][1,2,4]triazines / 1-benzothiophenes / 2,3,5-trisubstituted thiophenes / Anisoles / N-alkylpiperazines / Alkyl aryl ethers / Aralkylamines / Substituted pyrroles / 1,2,4-triazines / Imidolactams
show 10 more
Substituents
1,2,4-triazine / 1,4-diazinane / 1-benzothiophene / 2,3,5-trisubstituted thiophene / Alkyl aryl ether / Alpha-amino acid amide / Amine / Anisole / Aralkylamine / Aromatic heteropolycyclic compound
show 29 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
98BSN6N516
CAS number
1443530-05-9
InChI Key
HNLRRJSKGXOYNO-UHFFFAOYSA-N
InChI
InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)
IUPAC Name
4-{[4-amino-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}piperazin-2-one
SMILES
COCC1=C(CN2CCNC(=O)C2)N2N=CN=C(N)C2=C1C1=CC2=C(S1)C(OC)=CC(C)=C2

References

General References
Not Available
ChemSpider
58828032
BindingDB
194820
ChEMBL
CHEMBL3963485

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentNon Small Cell Lung Cancer Squamous (NSCLC-Sq)1
2CompletedTreatmentMalignancies1
2RecruitingTreatmentGastrointestinal Stromal Tumor (GIST) / Recurrent Sarcoma1
2RecruitingTreatmentSquamous Neck Carcinoma of the Head and Neck Cancer (SCCHN)1
2WithdrawnTreatmentBladder Cancer, Cancer1
2, 3CompletedTreatmentTransitional Cell, Carcinoma1
1CompletedTreatmentAdvanced or Metastatic Solid Tumors1
1CompletedTreatmentClinical Trial, Phase I / Pharmacokinetics1
1CompletedTreatmentNeoplasms2
1RecruitingOtherHormone Receptor Positive Malignant Neoplasm of Breast / Metastatic Breast Cancer1

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 Solubility0.00639 mg/mLALOGPS
logP1.78ALOGPS
logP1.9ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)14ChemAxon
pKa (Strongest Basic)4.68ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area107.01 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity140.4 m3·mol-1ChemAxon
Polarizability50.24 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 14:47 / Updated at February 21, 2021 18:55