AZD-4017

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

Identification

Name
AZD-4017
Accession Number
DB14875
Type
Small Molecule
Groups
Investigational
Description

AZD-4017 is under investigation in clinical trial NCT01173471 (A Phase IIa Study to Assess the Tolerability, Safety, and Efficacy of AZD4017 for Raised Intra-ocular Pressure).

Structure
Thumb
Synonyms
Not Available
External IDs
AZD4017
Categories
UNII
3JL137394Y
CAS number
1024033-43-9
Weight
Average: 419.581
Monoisotopic: 419.224262627
Chemical Formula
C22H33N3O3S
InChI Key
NCDZABJPWMBMIQ-INIZCTEOSA-N
InChI
InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1
IUPAC Name
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl]acetic acid
SMILES
CCCSC1=C(C=CC(=N1)N1CCC[C@@H](CC(O)=O)C1)C(=O)NC1CCCCC1

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
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

References

General References
Not Available
External Links
ChemSpider
28665037
BindingDB
50392216
ChEMBL
CHEMBL2153191
ZINC
ZINC000095575356
PDBe Ligand
14M
PDB Entries
4hfr

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableBMI >30 kg/m21
1CompletedNot AvailableHealthy Volunteers2
1CompletedNot AvailableType 2 Diabetes Mellitus1
2CompletedBasic ScienceRaised Intraocular Pressure1
2CompletedTreatmentIdiopathic Intracranial Hypertension (IIH)1
2CompletedTreatmentType 2 Diabetes Mellitus1
2RecruitingTreatmentIatrogenic Cushing's Disease1

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 Solubility0.0137 mg/mLALOGPS
logP4.19ALOGPS
logP3.99ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)3.16ChemAxon
pKa (Strongest Basic)4.23ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area82.53 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity118.91 m3·mol-1ChemAxon
Polarizability47.79 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:32 / Updated on March 01, 2020 21:57

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