NAV

AZD-8165

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

Identification

Generic Name
AZD-8165
DrugBank Accession Number
DB15132
Background

AZD-8165 is under investigation in clinical trial NCT01150812 (Oral AZD8165 After Single Oral Ascending Doses in Healthy Male Subjects).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 513.91
Monoisotopic: 513.132758
Chemical Formula
C23H21ClFN7O4
Synonyms
Not Available
External IDs
  • AZD8165
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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 phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Tetrazoles
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Alpha amino acids and derivatives / Phenylacetamides / Benzyloxycarbonyls / Chlorobenzenes / Fluorobenzenes / Aryl chlorides / Aryl fluorides / Pyrazolines / Heteroaromatic compounds / Secondary carboxylic acid amides
show 9 more
Substituents
Alpha-amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Benzyloxycarbonyl / Carbonyl group / Carboxamide group
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7WO8I5IY24
CAS number
1201686-72-7
InChI Key
YUHNXUAATAMVKD-PZJWPPBQSA-N
InChI
InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1
IUPAC Name
(1R)-2-[(5S)-5-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}carbamoyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(4-fluorophenyl)-2-oxoethyl propanoate
SMILES
CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCC1=C(C=CC(Cl)=C1)N1C=NN=N1)C1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
34980772
ChEMBL
CHEMBL3786896
ZINC
ZINC000114299781

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedNot AvailableThrombin Inhibition1

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 Solubility0.0216 mg/mLALOGPS
logP2.33ALOGPS
logP2.08Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)13.29Chemaxon
pKa (Strongest Basic)0.76Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area131.67 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity128.63 m3·mol-1Chemaxon
Polarizability48.27 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-053r-1319410000-6c8aa1e4150976dd7bb6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9040000000-d57dc931f98259e74179
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-2802900000-85aff6d5ac3971ebd054
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9001000000-ef5d55526c081f9311bb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a70-1942700000-792b1ef2ca3f72dc16c8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dl-9131000000-3a68f7a901cd92d6d790
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:52 / Updated at June 12, 2020 16:53