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

Identification
NameSaracatinib
Accession NumberDB11805
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs AZD-0530 / AZD0530
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII9KD24QGH76
CAS number379231-04-6
WeightAverage: 542.026
Monoisotopic: 541.209196866
Chemical FormulaC27H32ClN5O5
InChI KeyOUKYUETWWIPKQR-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Saracatinib.Approved
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
DeslanosideDeslanoside may decrease the cardiotoxic activities of Saracatinib.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Saracatinib.Approved
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
OleandrinAnvirzel may decrease the cardiotoxic activities of Saracatinib.Experimental
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
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Saracatinib.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentAlcohol Drinking1
1CompletedTreatmentAlzheimer's Disease (AD)1
1CompletedTreatmentNeoplasms2
1CompletedTreatmentPulmonary Lymphangioleiomyomatosis1
1CompletedTreatmentTumors, Solid1
1RecruitingTreatmentAlcoholism1
1WithdrawnTreatmentCancers / Non-Small-Cell Lung Carcinoma (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
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazanaphthalenes
Sub ClassBenzodiazines
Direct ParentQuinazolinamines
Alternative ParentsBenzodioxoles / Alkyl aryl ethers / Aminopyrimidines and derivatives / N-methylpiperazines / Oxanes / Aryl chlorides / Imidolactams / Benzenoids / Heteroaromatic compounds / Trialkylamines
SubstituentsQuinazolinamine / Benzodioxole / Alkyl aryl ether / Aminopyrimidine / N-methylpiperazine / N-alkylpiperazine / Aryl chloride / Aryl halide / 1,4-diazinane / Oxane
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 14:49 / Updated on September 01, 2017 12:13