AZD-7295

Identification

Generic Name

AZD-7295

DrugBank Accession Number

DB12724

Background

AZD7295 has been investigated for the treatment of Hepatitis C.

Type

Small Molecule

Groups

Investigational

Structure

3D

Download

MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for AZD-7295 (DB12724)

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Weight

Average: 644.71
Monoisotopic: 644.228025906

Chemical Formula

C₃₂H₃₅F₃N₄O₅S

Synonyms

Not Available

External IDs

• AZD7295

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Pharmacology

Indication

Not Available

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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

Adverse Effects

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Toxicity

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

Categories

Drug Categories

Not Available

Chemical TaxonomyProvided by Classyfire

Description

This 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.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Anilides

Direct Parent

Benzanilides

Alternative Parents

Biphenyls and derivatives / Benzamides / Benzoyl derivatives / Benzylamines / N-arylamides / Phenol ethers / Phenoxy compounds / Phenylmethylamines / Aralkylamines / N-alkylpiperazines / Organic sulfonamides / Cyclopropanecarboxylic acids and derivatives / Organosulfonamides / Sulfonyls / Trialkylamines / Amino acids and derivatives / Trihalomethanes / Secondary carboxylic acid amides / Azacyclic compounds / Organofluorides / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Alkyl fluorides

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Substituents

1,4-diazinane / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzamide / Benzanilide / Benzoic acid or derivatives / Benzoyl / Benzylamine / Biphenyl / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Cyclopropanecarboxylic acid or derivatives / Halomethane / Hydrocarbon derivative / N-alkylpiperazine / N-arylamide / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organic sulfonic acid amide / Organic sulfonic acid or derivatives / Organofluoride / Organohalogen compound / Organoheterocyclic compound / Organonitrogen compound / Organooxygen compound / Organosulfonic acid amide / Organosulfonic acid or derivatives / Organosulfur compound / Phenol ether / Phenoxy compound / Phenylmethylamine / Piperazine / Secondary carboxylic acid amide / Sulfonyl / Tertiary aliphatic amine / Tertiary amine / Trihalomethane

show 34 more

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Affected organisms

Not Available

Chemical Identifiers

UNII

102MC1467J

CAS number

929890-64-2

InChI Key

MAQDQJWCSSCURR-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

References

General References

Not Available

External Links

PubChem Compound

57339445

PubChem Substance

347828919

ChemSpider

34542361

ZINC

ZINC000095627833

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
1	Completed	Not Available	Healthy Volunteers (HV)	1
1	Completed	Treatment	Healthy Volunteers (HV)	2
1	Completed	Treatment	Hepatitis C Virus (HCV) Infection	1

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

Property	Value	Source
Water Solubility	0.002 mg/mL	ALOGPS
logP	4.57	ALOGPS
logP	5.7	Chemaxon
logS	-5.5	ALOGPS
pKa (Strongest Acidic)	13.71	Chemaxon
pKa (Strongest Basic)	6.05	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	6	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	108.05 Å2	Chemaxon
Rotatable Bond Count	11	Chemaxon
Refractivity	163.92 m3·mol-1	Chemaxon
Polarizability	65.94 Å3	Chemaxon
Number of Rings	5	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0000019000-92c0a87bd71417bf05bc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00bc-0010029000-f31f8723729bd91595de
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004j-1001039000-07556ccc8299c8d0da06
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014r-1120092000-2bdf03c6e5720f3e2cfc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dj-1003196000-643daa6561154aefc1e2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-08gu-2200494000-7d69fde0de781a5dfcd4

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å2)	Source type	Source
[M-H]-	246.50778	predicted	DeepCCS 1.0 (2019)
[M+H]+	248.36009	predicted	DeepCCS 1.0 (2019)
[M+Na]+	254.01125	predicted	DeepCCS 1.0 (2019)

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Drug created at October 20, 2016 23:50 / Updated at June 12, 2020 16:53