NAV

AZD-5672

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

Identification

Generic Name
AZD-5672
DrugBank Accession Number
DB11804
Background

Azd5672 has been used in trials studying the basic science and treatment of Pharmacokinetics, Renal Impairment, and Rheumatoid Arthritis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 632.78
Monoisotopic: 632.219021006
Chemical Formula
C32H38F2N2O5S2
Synonyms
Not Available
External IDs
  • AZD5672
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Phenylacetamides / Benzenesulfonyl compounds / Fluorobenzenes / Aralkylamines / Piperidines / Aryl fluorides / Tertiary carboxylic acid amides / Sulfones / Trialkylamines / Amino acids and derivatives
show 5 more
Substituents
Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenesulfonyl group / Carbonyl group / Carboxamide group
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
61XQN688TW
CAS number
780750-65-4
InChI Key
SCXSQUUTGCWHFU-WJOKGBTCSA-N
InChI
InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1
IUPAC Name
N-{1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methanesulfonylphenyl)propyl]piperidin-4-yl}-N-ethyl-2-(4-methanesulfonylphenyl)acetamide
SMILES
CCN(C1CCN(CC[C@H](C2=CC=C(C=C2)S(C)(=O)=O)C2=CC(F)=CC(F)=C2)CC1)C(=O)CC1=CC=C(C=C1)S(C)(=O)=O

References

General References
Not Available
PubChem Compound
16007088
PubChem Substance
347828151
ChemSpider
13137327
BindingDB
50185666
ChEMBL
CHEMBL212689
ZINC
ZINC000036126689

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRheumatoid Arthritis1
1CompletedNot AvailableRheumatoid Arthritis1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedBasic ScienceHealthy Volunteers (HV) / Pharmacokinetics2
1CompletedBasic ScienceImpaired Renal Function1

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 Solubility0.00182 mg/mLALOGPS
logP4.58ALOGPS
logP3.48Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)19.4Chemaxon
pKa (Strongest Basic)7.43Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area91.83 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity166.23 m3·mol-1Chemaxon
Polarizability65.11 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-001i-0000209000-59ff1adfb84eff27c133
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0100209000-929118561a45f80c1fcb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fsi-0000049000-443ba19f74dea8eeaae9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fsi-2110329000-fe75308845961e2276ea
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0059-0295514000-77394e444c49e2eac485
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9034014000-676b12bdb5fd6cc3ad7a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-232.89162
predicted
DeepCCS 1.0 (2019)
[M+H]+234.7165
predicted
DeepCCS 1.0 (2019)
[M+Na]+240.32234
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:49 / Updated at June 12, 2020 16:53