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Filaminast
Identification
- Name
- Filaminast
- Accession Number
- DB02660
- Description
Filaminast is a phosphodiesterase 4 inhibitor (PDE4 inhibitor). As such, has potential in the treatment of asthma and chronic obstructive pulmonary disease (COPD).
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Filaminast (DB02660)
- Weight
- Average: 292.3303
Monoisotopic: 292.142307138 - Chemical Formula
- C15H20N2O4
- Synonyms
- Not Available
- External IDs
- WAY-PDA-641
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UcAMP-specific 3',5'-cyclic phosphodiesterase 4B inhibitorHumans - 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
Learn about our commercial Adverse Effects data.
Learn More- 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
Products
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenol ethers
- Sub Class
- Anisoles
- Direct Parent
- Anisoles
- Alternative Parents
- Phenoxy compounds / Methoxybenzenes / Oxime carbamates / Alkyl aryl ethers / Ketoximes / Organic carbonic acids and derivatives / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Carbonic acid derivative / Carbonyl group / Ether / Hydrocarbon derivative / Ketoxime / Methoxybenzene / Monocyclic benzene moiety
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
Chemical Identifiers
- UNII
- CDD69JC61J
- CAS number
- 141184-34-1
- InChI Key
- STTRYQAGHGJXJJ-LICLKQGHSA-N
- InChI
- InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+
- IUPAC Name
- (E)-{1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethylidene}amino carbamate
- SMILES
- COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9578243
- PubChem Substance
- 46506759
- ChemSpider
- 7852607
- BindingDB
- 14771
- ChEBI
- 697724
- ChEMBL
- CHEMBL590754
- ZINC
- ZINC000000000308
- PDBe Ligand
- FIL
- Wikipedia
- Filaminast
- PDB Entries
- 1xlz
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0192 mg/mL ALOGPS logP 3.22 ALOGPS logP 2.39 ChemAxon logS -4.2 ALOGPS pKa (Strongest Acidic) 13.29 ChemAxon pKa (Strongest Basic) 1.5 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 83.14 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 77.45 m3·mol-1 ChemAxon Polarizability 31.22 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9938 Blood Brain Barrier + 0.8658 Caco-2 permeable - 0.5379 P-glycoprotein substrate Non-substrate 0.647 P-glycoprotein inhibitor I Non-inhibitor 0.8439 P-glycoprotein inhibitor II Non-inhibitor 0.9846 Renal organic cation transporter Non-inhibitor 0.8863 CYP450 2C9 substrate Non-substrate 0.8437 CYP450 2D6 substrate Non-substrate 0.786 CYP450 3A4 substrate Substrate 0.5516 CYP450 1A2 substrate Inhibitor 0.5764 CYP450 2C9 inhibitor Non-inhibitor 0.7772 CYP450 2D6 inhibitor Non-inhibitor 0.9054 CYP450 2C19 inhibitor Non-inhibitor 0.547 CYP450 3A4 inhibitor Non-inhibitor 0.9347 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7704 Ames test AMES toxic 0.6957 Carcinogenicity Non-carcinogens 0.8323 Biodegradation Not ready biodegradable 0.9883 Rat acute toxicity 2.9838 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9688 hERG inhibition (predictor II) Non-inhibitor 0.9098
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Metal ion binding
- Specific Function
- Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes. May be involved in mediating central nervous system effects of therapeutic agents ranging f...
- Gene Name
- PDE4B
- Uniprot ID
- Q07343
- Uniprot Name
- cAMP-specific 3',5'-cyclic phosphodiesterase 4B
- Molecular Weight
- 83342.695 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Drug created on June 13, 2005 07:24 / Updated on August 01, 2020 07:45
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