Saracatinib

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

Identification

Name
Saracatinib
Accession Number
DB11805
Type
Small Molecule
Groups
Investigational
Description

Saracatinib has been investigated for the treatment of Cancer, Osteosarcoma, Ovarian Cancer, Fallopian Tube Cancer, and Primary Peritoneal Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD-0530 / AZD0530
Categories
UNII
9KD24QGH76
CAS number
379231-04-6
Weight
Average: 542.026
Monoisotopic: 541.209196866
Chemical Formula
C27H32ClN5O5
InChI Key
OUKYUETWWIPKQR-UHFFFAOYSA-N
InChI
InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
IUPAC Name
N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
SMILES
CN1CCN(CCOC2=CC3=C(C(NC4=C(Cl)C=CC5=C4OCO5)=NC=N3)C(OC3CCOCC3)=C2)CC1

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Saracatinib.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Saracatinib.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Saracatinib.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Saracatinib.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Saracatinib.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Saracatinib.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Saracatinib.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Saracatinib.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Saracatinib.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Saracatinib.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Saracatinib.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Saracatinib.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Saracatinib.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Saracatinib.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Saracatinib.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Saracatinib.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Saracatinib.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Saracatinib.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Saracatinib.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10302451
PubChem Substance
347828152
ChemSpider
8477917
BindingDB
12255
ChEMBL
CHEMBL217092
HET
H8H
PDB Entries
2h8h / 4qmx / 5vcx / 5vd3

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentAlcohol Drinking1
1CompletedTreatmentAlzheimer's Disease (AD)1
1CompletedTreatmentNeoplasms2
1CompletedTreatmentPulmonary Lymphangioleiomyomatosis1
1CompletedTreatmentTumors, Solid1
1RecruitingTreatmentAlcoholism1
1WithdrawnTreatmentCancers / Lung Cancer Non-Small Cell Cancer (NSCLC) / Ovarian Epithelial Cancer1
1, 2Active Not RecruitingTreatmentCancer, Breast1
1, 2CompletedTreatmentMalignant Neoplasm of Pancreas1
2Active Not RecruitingTreatmentSarcoma, Osteogenic1
2CompletedTreatmentAdenocarcinoma of the Pancreas / Recurrent Pancreatic Cancer / Stage IV Pancreatic Cancer1
2CompletedTreatmentAdenocarcinoma of the Stomach / Adenocarcinomas of the Gastroesophageal Junction / Recurrent Gastric Cancer / Stage III Esophageal Cancer / Stage III Gastric Cancer / Stage IV Esophageal Cancer / Stage IV Gastric Cancer1
2CompletedTreatmentAdult Fibrosarcoma / Adult Leiomyosarcoma / Adult Liposarcoma / Adult Malignant Fibrous Histiocytoma / Adult Rhabdomyosarcoma / Dermatofibrosarcoma Protuberans / Recurrent Adult Soft Tissue Sarcoma / Recurrent Uterine Sarcoma / Sarcoma, Endometrial Stromal / Stage III Adult Soft Tissue Sarcoma / Stage III Uterine Sarcoma / Stage IV Adult Soft Tissue Sarcoma / Stage IV Uterine Sarcoma / Uterine Carcinosarcoma / Uterine Leiomyosarcoma1
2CompletedTreatmentBone Neoplasms / Cancer, Breast / Prostate Cancer1
2CompletedTreatmentCancer, Ovarian / Neoplasms, Ovarian1
2CompletedTreatmentEstrogen Receptor-negative Breast Cancer / Male Breast Cancer / Progesterone Receptor-negative Breast Cancer / Recurrent Breast Cancer / Stage IIIB Breast Cancer / Stage IIIC Breast Cancer / Stage IV Breast Cancer1
2CompletedTreatmentExtensive Stage Small Cell Lung Cancer / Lung Cancer Metastatic / Malignant Pleural Effusions / Recurrent Small Cell Lung Cancer1
2CompletedTreatmentHormone-Resistant Prostate Cancer / Recurrent Prostate Cancer1
2CompletedTreatmentMetastatic Squamous Neck Cancer With Occult Primary Squamous Cell Carcinoma / Recurrent Metastatic Squamous Neck Cancer With Occult Primary / Recurrent Squamous Cell Carcinoma of the Hypopharynx / Recurrent Squamous Cell Carcinoma of the Larynx / Recurrent Squamous Cell Carcinoma of the Lip and Oral Cavity / Recurrent Squamous Cell Carcinoma of the Nasopharynx / Recurrent Squamous Cell Carcinoma of the Oropharynx / Recurrent Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Recurrent Verrucous Carcinoma of the Larynx / Recurrent Verrucous Carcinoma of the Oral Cavity / Stage III Squamous Cell Carcinoma of the Hypopharynx / Stage III Squamous Cell Carcinoma of the Larynx / Stage III Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage III Squamous Cell Carcinoma of the Nasopharynx / Stage III Squamous Cell Carcinoma of the Oropharynx / Stage III Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Stage III Verrucous Carcinoma of the Larynx / Stage III Verrucous Carcinoma of the Oral Cavity / Stage IV Squamous Cell Carcinoma of the Hypopharynx / Stage IV Squamous Cell Carcinoma of the Nasopharynx / Stage IVA Squamous Cell Carcinoma of the Larynx / Stage IVA Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage IVA Squamous Cell Carcinoma of the Oropharynx / Stage IVA Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Stage IVA Verrucous Carcinoma of the Larynx / Stage IVA Verrucous Carcinoma of the Oral Cavity / Stage IVB Squamous Cell Carcinoma of the Larynx / Stage IVB Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage IVB Squamous Cell Carcinoma of the Oropharynx / Stage IVB Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Stage IVB Verrucous Carcinoma of the Larynx / Stage IVB Verrucous Carcinoma of the Oral Cavity / Stage IVC Squamous Cell Carcinoma of the Larynx / Stage IVC Squamous Cell Carcinoma of the Lip and Oral Cavity / Stage IVC Squamous Cell Carcinoma of the Oropharynx / Stage IVC Squamous Cell Carcinoma of the Paranasal Sinus and Nasal Cavity / Stage IVC Verrucous Carcinoma of the Larynx / Stage IVC Verrucous Carcinoma of the Oral Cavity / Tongue Cancer1
2CompletedTreatmentRecurrent Melanoma / Stage IIA Melanoma / Stage IIB Melanoma / Stage IIC Melanoma / Stage IV Melanoma1
2CompletedTreatmentRecurrent Non-small Cell Lung Cancer / Stage IIIb Non-small Cell Lung Cancer / Stage IV Non-Small Cell Lung Cancer1
2Not Yet RecruitingNot AvailableAlcohol Drinking1
2RecruitingTreatmentCancers1
2RecruitingTreatmentPulmonary Lymphangioleiomyomatosis1
2TerminatedTreatmentAdenocarcinoma of the Colon / Adenocarcinoma of the Rectum / Recurrent Colon Cancer / Recurrent Rectal Cancer / Stage IV Colon Cancer / Stage IV Rectal Cancer1
2TerminatedTreatmentHormone-Resistant Prostate Cancer / Recurrent Prostate Cancer / Stage IV Prostate Cancer1
2TerminatedTreatmentInvasive Thymoma and Thymic Carcinoma / Recurrent Thymoma and Thymic Carcinoma / Stage III Thymoma / Stage IVA Thymoma / Stage IVB Thymoma1
2, 3CompletedTreatmentCancer, Ovarian / Fallopian Tube Cancer / Primary Peritoneal 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 Solubility0.0942 mg/mLALOGPS
logP3.53ALOGPS
logP3.2ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)11.81ChemAxon
pKa (Strongest Basic)8.19ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area90.44 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity143.64 m3·mol-1ChemAxon
Polarizability57.31 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolinamines
Alternative Parents
Benzodioxoles / Alkyl aryl ethers / Aminopyrimidines and derivatives / N-methylpiperazines / Oxanes / Aryl chlorides / Imidolactams / Benzenoids / Heteroaromatic compounds / Trialkylamines
show 7 more
Substituents
Quinazolinamine / Benzodioxole / Alkyl aryl ether / Aminopyrimidine / N-methylpiperazine / N-alkylpiperazine / Aryl chloride / Aryl halide / 1,4-diazinane / Oxane
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:49 / Updated on November 09, 2017 04:57