(1r,4r)-4-[(1-{5-[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]pyridin-2-yl}piperidin-4-yl)oxy]cyclohexane-1-carboxylic acid - Moligand™ , Inhibitor of diacylglycerol O-acyltransferase 1, CAS No.R609321, Inhibitor of diacylglycerol O-acyltransferase 1

CAS: R609321 Cat. No.: R609321 PubChem CID: 71078515

GRADE & PURITY Moligand™

Synonyms

compound 5B

Storage

Room temperature

Specifications

Synonyms

compound 5B

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of diacylglycerol O-acyltransferase 1

Names and Identifiers

• Canonical Smiles: OC(=O)[C@@H]1CC[C@H](CC1)OC1CCN(CC1)c1ccc(cn1)c1nc2c([nH]1)ccc(c2)C(F)(F)F
• IUPAC Name: (1r,4r)-4-[(1-{5-[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]pyridin-2-yl}piperidin-4-yl)oxy]cyclohexane-1-carboxylic acid
• InChIKey: MCFBUIIRFZBRCU-RZDIXWSQSA-N
• INCHI: 1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)/t15-,18-
• Isomeric SMILES: C1CC(CCC1C(=O)O)OC2CCN(CC2)C3=NC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F
• PubChem CID: 71078515

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Dialkylarylamines Aminopyridines and derivatives Piperidines Benzenoids Imidolactams Heteroaromatic compounds Imidazoles Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Dialkylarylamine - Aminopyridine - Piperidine - Pyridine - Imidolactam - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1 Activities)

Discover Target: DGAT1

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