1-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide - Moligand™ , Inhibitor of farnesyl diphosphate synthase, CAS No.B609073, Inhibitor of farnesyl diphosphate synthase

CAS: B609073 Cat. No.: B609073 PubChem CID: 54733935

GRADE & PURITY Moligand™

Synonyms

compound 2

Storage

Room temperature

Specifications

Synonyms

compound 2

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of farnesyl diphosphate synthase

Names and Identifiers

• Canonical Smiles: OC1=C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N(C1)Cc1ccccc1
• IUPAC Name: 1-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide
• InChIKey: JKRIQNNJCFTRAF-UHFFFAOYSA-N
• INCHI: 1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,27H,2,5-6,9-10,15-16H2,(H,25,28)
• Isomeric SMILES: C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C3=C(CN(C3=O)CC4=CC=CC=C4)O
• PubChem CID: 54733935

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Pyrroline carboxylic acids and derivatives N-arylamides Vinylogous acids Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Enols Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - Pyrroline carboxylic acid or derivatives - N-arylamide - Pyrroline - Tertiary carboxylic acid amide - Vinylogous acid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Enol - Carboxylic acid derivative - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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)

FDPS Tclin Farnesyl pyrophosphate synthase (1 Activities)

Discover Target: FDPS

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