This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Pocapavir
- DrugBank Accession Number
- DB17736
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Pocapavir (DB17736)
- Weight
- Average: 423.71
Monoisotopic: 422.0243275 - Chemical Formula
- C21H17Cl3O3
- Synonyms
- 1-((2-chloro-4-methoxyphenoxy)methyl)-4-((2,6-dichlorophenoxy)methyl)benzene
- External IDs
- SCH-48973
- V-073
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
- 4ILA3VOV97
- CAS number
- 146949-21-5
- InChI Key
- XXMDDBVNWRWNCW-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3
- IUPAC Name
- 2-chloro-1-({4-[(2,6-dichlorophenoxy)methyl]phenyl}methoxy)-4-methoxybenzene
- SMILES
- COC1=CC=C(OCC2=CC=C(COC3=C(Cl)C=CC=C3Cl)C=C2)C(Cl)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 1411
- ChEMBL
- CHEMBL1235858
- ZINC
- ZINC000001891911
- PDBe Ligand
- SC4
- PDB Entries
- 1eah / 3epf
Clinical Trials
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 logP 6.76 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 27.69 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 109.09 m3·mol-1 Chemaxon Polarizability 42.75 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 02, 2023 22:46 / Updated at May 04, 2023 06:06