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

Synonyms

compound 1a

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of Estrogen-related receptor-α

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Mechanisms of Action