Pyrotinib

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates
Name
Pyrotinib
Accession Number
DB14993
Type
Small Molecule
Groups
Investigational
Description

Pyrotinib is under investigation in clinical trial NCT03756064 (Neoadjuvant Study of Pyrotinib in Patients With HER2 Positive Breast Cancer).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
CJN36EQM0H
CAS number
1269662-73-8
Weight
Average: 583.09
Monoisotopic: 582.2146166
Chemical Formula
C32H31ClN6O3
InChI Key
SADXACCFNXBCFY-IYNHSRRRSA-N
InChI
InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
IUPAC Name
(2E)-N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
SMILES
CCOC1=C(NC(=O)\C=C\[C@H]2CCCN2C)C=C2C(=C1)N=CC(C#N)=C2NC1=CC=C(OCC2=NC=CC=C2)C(Cl)=C1

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
52083721
BindingDB
139991
ChEMBL
CHEMBL3647420

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBreast Cancer1
1CompletedTreatmentMetastatic Breast Cancer1
1RecruitingTreatmentBreast Cancer / Lung Cancer Non-Small Cell Cancer (NSCLC) / Malignant Neoplasm of Stomach / Tumors, Solid1
1RecruitingTreatmentHER2 Positive Gastric Cancer1
1RecruitingTreatmentMalignant Neoplasm of Stomach1
1, 2Active Not RecruitingTreatmentHER2 Positive Metastatic Breast Cancers1
1, 2Not Yet RecruitingTreatmentHER-2 Positive Colorectal Cancer1
1, 2RecruitingTreatmentBreast Cancer1
1, 2RecruitingTreatmentBreast Cancer / Combination Chemotherapy / HER2 Positive1
1, 2RecruitingTreatmentTriple-Negative Breast Cancer (TNBC)1
2Not Yet RecruitingTreatmentBreast Cancer1
2Not Yet RecruitingTreatmentBreast Cancer / ER-positive Breast Cancer / Her2-Positive Breast Cancer1
2Not Yet RecruitingTreatmentBreast Diseases / Her2-Positive Breast Cancer / Hormone Receptor Positive Malignant Neoplasm of Breast / Hormone Receptor Positive Tumor / Malignant Neoplasm of Female Breast / Metastatic Breast Cancer2
2Not Yet RecruitingTreatmentHER-2 Gene Amplification / HER-2 protein overexpression / HER2 Gene Mutation / Tumors, Solid1
2Not Yet RecruitingTreatmentHER2 Positive Breast Cancers1
2Not Yet RecruitingTreatmentHER2 Positive Metastatic Breast Cancers1
2Not Yet RecruitingTreatmentHer2-Positive Breast Cancer1
2Not Yet RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2Not Yet RecruitingTreatmentMetastatic Breast Cancer4
2RecruitingTreatmentBreast Cancer3
2RecruitingTreatmentBreast Cancer / HER2 Gene Mutation1
2RecruitingTreatmentBreast Cancer / Her2-Positive Breast Cancer1
2RecruitingTreatmentBreast Cancer / Tumors Metastatic to Brain1
2RecruitingTreatmentHER2 Insertion Mutation Positive Advanced NSCLC1
2RecruitingTreatmentHer2-Positive Breast Cancer / Metastatic Breast Cancer1
2RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)2
2RecruitingTreatmentMalignant Neoplasm of Female Breast1
2RecruitingTreatmentMetastatic Breast Cancer2
2RecruitingTreatmentNon Small Cell Lung1
3Active Not RecruitingTreatmentHER2 Positive Metastatic Breast Cancers2
3Not Yet RecruitingTreatmentBreast Cancer1
3Not Yet RecruitingTreatmentLocally Advanced Breast Cancer (LABC)1
3Not Yet RecruitingTreatmentMetastatic Breast Cancer1
3RecruitingTreatmentHer2-Positive Breast Cancer1
Not AvailableNot Yet RecruitingTreatmentHER2 Positive Breast Cancers1
Not AvailableNot Yet RecruitingTreatmentHer2-Positive Breast Cancer1
Not AvailableRecruitingTreatmentBreast Cancer / Breast Diseases / Neoplasms, Breast1
Not AvailableRecruitingTreatmentColorectal Cancers1

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 Solubility0.00589 mg/mLALOGPS
logP5.1ALOGPS
logP4.93ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)12.55ChemAxon
pKa (Strongest Basic)8.71ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area112.4 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity164.5 m3·mol-1ChemAxon
Polarizability60.8 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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 08:40 / Updated on February 02, 2020 03:18