NAV

Filaminast

Identification

Generic Name
Filaminast
DrugBank Accession Number
DB02660
Background

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
3D
Similar Structures
Weight
Average: 292.3303
Monoisotopic: 292.142307138
Chemical Formula
C15H20N2O4
Synonyms
  • Filaminast
External IDs
  • WAY-PDA-641
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UcAMP-specific 3',5'-cyclic phosphodiesterase 4B
inhibitor
Humans
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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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
Affected organisms
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
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

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.0192 mg/mLALOGPS
logP3.22ALOGPS
logP2.39Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)13.29Chemaxon
pKa (Strongest Basic)1.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area83.14 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity77.45 m3·mol-1Chemaxon
Polarizability31.39 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9938
Blood Brain Barrier+0.8658
Caco-2 permeable-0.5379
P-glycoprotein substrateNon-substrate0.647
P-glycoprotein inhibitor INon-inhibitor0.8439
P-glycoprotein inhibitor IINon-inhibitor0.9846
Renal organic cation transporterNon-inhibitor0.8863
CYP450 2C9 substrateNon-substrate0.8437
CYP450 2D6 substrateNon-substrate0.786
CYP450 3A4 substrateSubstrate0.5516
CYP450 1A2 substrateInhibitor0.5764
CYP450 2C9 inhibitorNon-inhibitor0.7772
CYP450 2D6 inhibitorNon-inhibitor0.9054
CYP450 2C19 inhibitorNon-inhibitor0.547
CYP450 3A4 inhibitorNon-inhibitor0.9347
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7704
Ames testAMES toxic0.6957
CarcinogenicityNon-carcinogens0.8323
BiodegradationNot ready biodegradable0.9883
Rat acute toxicity2.9838 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9688
hERG inhibition (predictor II)Non-inhibitor0.9098
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-8190000000-f0ec599e18001e1821c4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-02u0-3940000000-a47e16c871bddf0c0375
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9160000000-267aaa6d3f08070074b9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-57cdafeed689478671e8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01rx-4790000000-491dc0b5dc5f6de4ec42
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02u0-2920000000-d1f229328d83134e1c35
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-9670000000-f7a7a8472313e14be746
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-166.09897
predicted
DeepCCS 1.0 (2019)
[M+H]+168.45699
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.47964
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. cAMP-specific 3',5'-cyclic phosphodiesterase 4B
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
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. 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. [Article]
  3. 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. [Article]

Drug created at June 13, 2005 13:24 / Updated at February 21, 2021 18:51