This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AZD-4017
- DrugBank Accession Number
- DB14875
- Background
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).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for AZD-4017 (DB14875)
- Weight
- Average: 419.581
Monoisotopic: 419.224262627 - Chemical Formula
- C22H33N3O3S
- Synonyms
- Not Available
- External IDs
- AZD4017
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3JL137394Y
- CAS number
- 1024033-43-9
- 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
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
Phase Status Purpose Conditions Count 2 Completed Basic Science Increased Intra Ocular Pressure (IOP) 1 2 Completed Treatment Iatrogenic Cushing's Disease 1 2 Completed Treatment Idiopathic Intracranial Hypertension 1 2 Completed Treatment Type 2 Diabetes Mellitus 1 1 Completed Not Available Healthy Subjects (HS) 2 1 Completed Not Available Obesity 1 1 Completed Not Available Type 2 Diabetes Mellitus 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 0.0137 mg/mL ALOGPS logP 4.19 ALOGPS logP 3.99 ChemAxon logS -4.5 ALOGPS pKa (Strongest Acidic) 3.16 ChemAxon pKa (Strongest Basic) 4.23 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 82.53 Å2 ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 118.91 m3·mol-1 ChemAxon Polarizability 47.79 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 14:32 / Updated at June 12, 2020 16:53