Clinofibrate

Identification

Generic Name

Clinofibrate

DrugBank Accession Number

DB09006

Background

Clinofibrate is a fibrate drug sold and marketed in Japan.

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 468.59
Monoisotopic: 468.251188879
Chemical Formula: C₂₈H₃₆O₆

Synonyms

Clinofibrate

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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

Target	Actions	Organism
UPeroxisome proliferator-activated receptor alpha	Not Available	Humans
UPeroxisome proliferator-activated receptor gamma	Not Available	Humans
UPeroxisome proliferator-activated receptor delta	Not Available	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

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

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International/Other Brands: Lipoclin (Dainippon Sumitomo) / Lipofibrate (Taiyo Pharmaceutical) / Prinmate (Sawai Seiyaku)

Categories

Drug Categories

Chemical TaxonomyProvided by Classyfire

Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom: Organic compounds
Super Class: Benzenoids
Class: Benzene and substituted derivatives
Sub Class: Diphenylmethanes
Direct Parent: Diphenylmethanes
Alternative Parents: Phenoxyacetic acid derivatives / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Dicarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents: Alkyl aryl ether / Aromatic homomonocyclic compound / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Dicarboxylic acid or derivatives / Diphenylmethane / Ether / Hydrocarbon derivative / Organic oxide
Molecular Framework: Aromatic homomonocyclic compounds
External Descriptors: Not Available

Affected organisms

Not Available

Chemical Identifiers

UNII: 0374EZJ8CU
CAS number: 30299-08-2
InChI Key: BMOVQUBVGICXQN-UHFFFAOYSA-N
InChI: InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)
IUPAC Name: 2-(4-{1-[4-(1-carboxy-1-methylpropoxy)phenyl]cyclohexyl}phenoxy)-2-methylbutanoic acid
SMILES: CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O

References

Synthesis Reference

U.S. Patent 3,716,583.

General References

Not Available

External Links

KEGG Drug: D01300
PubChem Compound: 2787
PubChem Substance: 310264965
ChemSpider: 2685
ChEBI: 31412
ChEMBL: CHEMBL1897738
Drugs.com: Drugs.com Drug Page
Wikipedia: Clinofibrate

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Property	Value	Source
melting point (°C)	143-146	U.S. Patent 3,716,583.

Predicted Properties

Property	Value	Source
Water Solubility	0.000227 mg/mL	ALOGPS
logP	5.75	ALOGPS
logP	7.21	Chemaxon
logS	-6.3	ALOGPS
pKa (Strongest Acidic)	3.4	Chemaxon
pKa (Strongest Basic)	-4.6	Chemaxon
Physiological Charge	-2	Chemaxon
Hydrogen Acceptor Count	6	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	93.06 Å²	Chemaxon
Rotatable Bond Count	10	Chemaxon
Refractivity	139.87 m³·mol^-1	Chemaxon
Polarizability	52.24 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009500000-12c6b6084d9c4b8d1b13
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01b9-2019300000-1f82af392b1206f943c6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-1209200000-ef8d8118d5ed5bef8bb4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00fr-1009000000-826f9f8f438f3dd52573
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00b9-1019100000-d6fc7e9b88e6d937498e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0091000000-1c81a47cd9a412b661cf
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	208.39241	predicted	DeepCCS 1.0 (2019)
[M+H]+	210.78777	predicted	DeepCCS 1.0 (2019)
[M+Na]+	216.84355	predicted	DeepCCS 1.0 (2019)

Targets

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Details1. Peroxisome proliferator-activated receptor alpha

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Zinc ion binding
Specific Function: Ligand-activated transcription factor. Key regulator of lipid metabolism. Activated by the endogenous ligand 1-palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine (16:0/18:1-GPC). Activated by oleyleth...
Gene Name: PPARA
Uniprot ID: Q07869
Uniprot Name: Peroxisome proliferator-activated receptor alpha
Molecular Weight: 52224.595 Da

References

Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9. [Article]

Details2. Peroxisome proliferator-activated receptor gamma

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Zinc ion binding
Specific Function: Nuclear receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the nuclear receptor binds to DNA specific PPAR response elements (PPRE...
Gene Name: PPARG
Uniprot ID: P37231
Uniprot Name: Peroxisome proliferator-activated receptor gamma
Molecular Weight: 57619.58 Da

References

Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9. [Article]

Details3. Peroxisome proliferator-activated receptor delta

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Zinc ion binding
Specific Function: Ligand-activated transcription factor. Receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Has a preference for poly-unsaturated fatty acids, such as gamma-lin...
Gene Name: PPARD
Uniprot ID: Q03181
Uniprot Name: Peroxisome proliferator-activated receptor delta
Molecular Weight: 49902.99 Da

References

Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9. [Article]

Drug created at June 19, 2014 19:51 / Updated at February 21, 2021 18:52