2,3-bis[(2,4-dichlorophenyl)methoxy]benzoic acid - Moligand™ , Inhibitor of fatty acid binding protein 3;Inhibitor of fatty acid binding protein 4;Inhibitor of fatty acid binding protein 5, CAS No.B608706, Inhibitor of fatty acid binding protein 3;Inhibitor of fatty acid binding protein 4;Inhibitor of fatty acid binding protein 5

CAS: B608706 Cat. No.: B608706 PubChem CID: 69586250

GRADE & PURITY Moligand™

Synonyms

compound 13

Storage

Room temperature

Specifications

Synonyms

compound 13

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of fatty acid binding protein 3;Inhibitor of fatty acid binding protein 4;Inhibitor of fatty acid binding protein 5

Names and Identifiers

• Canonical Smiles: Clc1ccc(c(c1)Cl)COc1c(cccc1C(=O)O)OCc1ccc(cc1Cl)Cl
• IUPAC Name: 2,3-bis[(2,4-dichlorophenyl)methoxy]benzoic acid
• InChIKey: RZFRHJXGOFXNIG-UHFFFAOYSA-N
• INCHI: 1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)
• Isomeric SMILES: C1=CC(=C(C(=C1)OCC2=C(C=C(C=C2)Cl)Cl)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O
• PubChem CID: 69586250

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Phenoxy compounds Phenol ethers Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Aryl chlorides Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

FABP3 Tchem Fatty acid-binding protein, heart (1 Activities)

Discover Target: FABP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FABP4 Tchem Fatty acid-binding protein, adipocyte (1 Activities)

Discover Target: FABP4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FABP5 Tchem Fatty acid-binding protein 5 (1 Activities)

Discover Target: FABP5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)