Rogaratinib

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

Identification

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Name
Rogaratinib
Accession Number
DB15078
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Categories
UNII
98BSN6N516
CAS number
1443530-05-9
Weight
Average: 466.56
Monoisotopic: 466.178709895
Chemical Formula
C23H26N6O3S
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
ChemSpider
58828032
BindingDB
194820
ChEMBL
CHEMBL3963485

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentClinical Trial, Phase I / Pharmacokinetics1
1CompletedTreatmentNeoplasms1
1RecruitingTreatmentAdvanced or Metastatic Solid Tumor1
1RecruitingTreatmentNeoplasms1
1, 2RecruitingTreatmentTransitional Cell Carcinoma1
2Enrolling by InvitationTreatmentMalignancies1
2Not Yet RecruitingTreatmentAdenocarcinoma of the Stomach1
2RecruitingTreatmentCarcinoma, Squamous Cell of Head and Neck1
2RecruitingTreatmentSquamous-cell Non-small Cell Lung Cancer1
2WithdrawnTreatmentCancer, Bladder1
2, 3Active Not RecruitingTreatmentTransitional Cell Carcinoma1

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

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:47 / Updated on February 02, 2020 03:19