AZD-5672

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
AZD-5672
Accession Number
DB11804
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
AZD5672
Categories
UNII
61XQN688TW
CAS number
780750-65-4
Weight
Average: 632.78
Monoisotopic: 632.219021006
Chemical Formula
C32H38F2N2O5S2
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

Pharmacology

Indication
Not Available
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
PubChem Compound
16007088
PubChem Substance
347828151
ChemSpider
13137327
BindingDB
50185666
ChEMBL
CHEMBL212689

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableRheumatoid Arthritis1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers / Pharmacokinetics2
1CompletedBasic ScienceImpaired Renal Function1
1CompletedBasic ScienceRheumatoid Arthritis2
2CompletedTreatmentRheumatoid Arthritis1

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/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 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
Diphenylmethane / Phenylacetamide / Benzenesulfonyl group / Aralkylamine / Fluorobenzene / Halobenzene / Aryl fluoride / Aryl halide / Piperidine / Tertiary carboxylic acid amide
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:49 / Updated on June 04, 2019 07:27