Felbinac

Identification

Generic Name
Felbinac
DrugBank Accession Number
DB07477
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 212.2439
Monoisotopic: 212.083729628
Chemical Formula
C14H12O2
Synonyms
  • Felbinac
External IDs
  • CL 83,544
  • LJC 10,141

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofPain caused by soft tissue injury••• ••••••
Treatment ofRheumatic pain••• ••••••
Treatment ofArthritic pain••• ••••••
Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UCathepsin L1Not AvailableHumans
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
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.
DrugInteraction
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Felbinac.
AcemetacinThe risk or severity of adverse effects can be increased when Felbinac is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Felbinac.
AlclofenacThe risk or severity of adverse effects can be increased when Felbinac is combined with Alclofenac.
AminophenazoneThe risk or severity of adverse effects can be increased when Aminophenazone is combined with Felbinac.
Food Interactions
Not Available

Products

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Categories

ATC Codes
M02AA08 — Felbinac
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Biphenyls and derivatives
Direct Parent
Biphenyls and derivatives
Alternative Parents
Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aromatic homomonocyclic compound / Biphenyl / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
monocarboxylic acid, biphenyls (CHEBI:31597)
Affected organisms
Not Available

Chemical Identifiers

UNII
94WNJ5U8L7
CAS number
5728-52-9
InChI Key
QRZAKQDHEVVFRX-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
IUPAC Name
2-{[1,1'-biphenyl]-4-yl}acetic acid
SMILES
OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
3332
PubChem Substance
99443948
ChemSpider
3215
BindingDB
223312
RxNav
262307
ChEBI
31597
ChEMBL
CHEMBL413965
ZINC
ZINC000000002318
PharmGKB
PA166049177
PDBe Ligand
BP4
Wikipedia
Felbinac
PDB Entries
1mhw / 7b8j / 7nbc

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
GelTopical4.88 %
GelTopical
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0372 mg/mLALOGPS
logP3.49ALOGPS
logP3.26Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)4.71Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity62.5 m3·mol-1Chemaxon
Polarizability23.13 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9952
Blood Brain Barrier+0.947
Caco-2 permeable+0.867
P-glycoprotein substrateNon-substrate0.7845
P-glycoprotein inhibitor INon-inhibitor0.9335
P-glycoprotein inhibitor IINon-inhibitor0.9454
Renal organic cation transporterNon-inhibitor0.9085
CYP450 2C9 substrateNon-substrate0.7588
CYP450 2D6 substrateNon-substrate0.9385
CYP450 3A4 substrateNon-substrate0.7859
CYP450 1A2 substrateNon-inhibitor0.7126
CYP450 2C9 inhibitorNon-inhibitor0.9382
CYP450 2D6 inhibitorNon-inhibitor0.9501
CYP450 2C19 inhibitorNon-inhibitor0.9468
CYP450 3A4 inhibitorNon-inhibitor0.9806
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8959
Ames testNon AMES toxic0.9702
CarcinogenicityNon-carcinogens0.5856
BiodegradationNot ready biodegradable0.5248
Rat acute toxicity2.8081 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9725
hERG inhibition (predictor II)Non-inhibitor0.9402
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0390000000-a42a74f8bbc32c015be8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-02t9-0980000000-e00ba70197183737c07f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0790000000-53d95a05654978950b74
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0910000000-56073ef7a999f5ad60fb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-1910000000-752e4057ca44d71171e4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-08ec61ef75c05a0b1747
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]-159.3975633
predicted
DarkChem Lite v0.1.0
[M-H]-145.5627
predicted
DeepCCS 1.0 (2019)
[M+H]+147.95827
predicted
DeepCCS 1.0 (2019)
[M+Na]+153.90993
predicted
DeepCCS 1.0 (2019)

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Serpin family protein binding
Specific Function
Important for the overall degradation of proteins in lysosomes.
Gene Name
CTSL
Uniprot ID
P07711
Uniprot Name
Cathepsin L1
Molecular Weight
37563.97 Da
References
  1. 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 September 15, 2010 21:22 / Updated at February 21, 2021 18:52