1-cyclohexyl-N-[[1-(4-methylphenyl)indol-3-yl]methyl]methanamine - Moligand™ , Antagonist of Estrogen-related receptor-α, CAS No.C608841, Antagonist of Estrogen-related receptor-α

CAS: C608841 Cat. No.: C608841 PubChem CID: 16122612

GRADE & PURITY Moligand™

Synonyms

compound 1a

Storage

Room temperature

Specifications

Sinónimos

compound 1a

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of Estrogen-related receptor-α

Nombres e identificadores

• Sonrisas canónicas: Cc1ccc(cc1)n1cc(c2c1cccc2)CNCC1CCCCC1
• IUPAC Name: 1-cyclohexyl-N-[[1-(4-methylphenyl)indol-3-yl]methyl]methanamine
• InChIKey: MMIJMYOYKAKQPN-UHFFFAOYSA-N
• INCHI: 1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)CNCC4CCCCC4
• PubChem CID: 16122612

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: 3-alkylindoles Toluenes Aralkylamines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrole - 3-alkylindole - Indole - Indole or derivatives - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

Objetivos asociados (humanos)

ESRRA Tchem Steroid hormone receptor ERR1 (1 Activities)

Discover Target: ESRRA

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

Mecanismos de acción