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

Identification
NameAZD-7295
Accession NumberDB12724
TypeSmall Molecule
GroupsInvestigational
Description

AZD7295 has been investigated for the treatment of Hepatitis C.

Structure
Thumb
SynonymsNot Available
External IDs AZD7295
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
CategoriesNot Available
UNII102MC1467J
CAS number929890-64-2
WeightAverage: 644.71
Monoisotopic: 644.228025906
Chemical FormulaC32H35F3N4O5S
InChI KeyMAQDQJWCSSCURR-UHFFFAOYSA-N
InChI
InChI=1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)
IUPAC Name
5'-cyclopropaneamido-N-(4-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}phenyl)-2'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxamide
SMILES
CCCS(=O)(=O)N1CCN(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C3=CC(NC(=O)C4CC4)=CC=C3OC(F)(F)F)C=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 Not Available
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
1CompletedNot AvailableHealthy Volunteers1
1CompletedTreatmentChronic Hepatitis C Infection1
1CompletedTreatmentHealthy Volunteers2
Properties
StateNot Available
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.002 mg/mLALOGPS
logP4.57ALOGPS
logP5.7ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)13.71ChemAxon
pKa (Strongest Basic)6.05ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area108.05 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity163.92 m3·mol-1ChemAxon
Polarizability65.94 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
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 benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassAnilides
Direct ParentBenzanilides
Alternative ParentsBiphenyls and derivatives / Benzamides / Benzoyl derivatives / Benzylamines / N-arylamides / Phenol ethers / Phenoxy compounds / Phenylmethylamines / Aralkylamines / N-alkylpiperazines
SubstituentsBenzanilide / Biphenyl / Benzamide / Benzoic acid or derivatives / Phenoxy compound / Benzoyl / Benzylamine / Phenylmethylamine / N-arylamide / Phenol ether
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 17:50 / Updated on September 01, 2017 12:24