Zibotentan

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
Zibotentan
Accession Number
DB06629
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
AZD-4054 / ZD-4054 / ZD4054
Categories
Not Available
UNII
8054MM4902
CAS number
186497-07-4
Weight
Average: 424.44
Monoisotopic: 424.095374193
Chemical Formula
C19H16N6O4S
InChI Key
FJHHZXWJVIEFGJ-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
IUPAC Name
N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide
SMILES
COC1=NC(C)=CN=C1NS(=O)(=O)C1=CC=CN=C1C1=CC=C(C=C1)C1=NN=CO1

Pharmacology

Indication

Investigated for use/treatment in prostate cancer.

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
8085875
ChEBI
94573
ChEMBL
CHEMBL1628688
Wikipedia
Zibotentan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceAdvanced Solid Malignancies1
1CompletedBasic ScienceHealthy Volunteers4
1CompletedTreatmentHepatic Impairment1
1CompletedTreatmentProstate Cancer1
2CompletedBasic ScienceIntermittent Claudication / Peripheral Arterial Disease (PAD)1
2CompletedTreatmentChronic Kidney Disease (CKD) / Scleroderma / Scleroderma Renal Crisis1
2CompletedTreatmentColorectal Cancers1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers1
2CompletedTreatmentNeoplasm Metastases / Prostatic Neoplasms1
2CompletedTreatmentProstate Cancer1
2TerminatedTreatmentMetastasis / Prostate Cancer1
2TerminatedTreatmentProstate Cancer1
2WithdrawnTreatmentMetastatic Breast Cancer (MBC)1
3CompletedTreatmentProstate Cancer2
3TerminatedTreatmentProstate Cancer1
Not AvailableUnknown StatusBasic ScienceMetastasis / Prostate Cancer1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.177 mg/mLALOGPS
logP2.33ALOGPS
logP1.01ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)5.46ChemAxon
pKa (Strongest Basic)0.92ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area132.99 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity118.89 m3·mol-1ChemAxon
Polarizability42.05 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Phenylpyridines
Direct Parent
Phenylpyridines
Alternative Parents
Pyridinesulfonamides / Methoxypyrazines / Alkyl aryl ethers / Organosulfonamides / Imidolactams / Benzene and substituted derivatives / Heteroaromatic compounds / Aminosulfonyl compounds / 1,3,4-oxadiazoles / Oxacyclic compounds
show 5 more
Substituents
2-phenylpyridine / Pyridine-3-sulfonamide / Methoxypyrazine / Alkyl aryl ether / Pyrazine / Organosulfonic acid amide / Benzenoid / Imidolactam / Monocyclic benzene moiety / Organic sulfonic acid or derivatives
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:41 / Updated on June 04, 2019 06:26