CIFEA - Moligand™ , Agonist of MT 2 receptor, CAS No.C608558, Agonist of MT 2 receptor

CAS: C608558 Cat. No.: C608558 PubChem CID: 53238181

GRADE & PURITY Moligand™

Synonyms

cyclohexylmethyl-indenofurane-ethylacetamide

Storage

Room temperature

Specifications

Synonyms

cyclohexylmethyl-indenofurane-ethylacetamide

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of MT 2 receptor

Names and Identifiers

• Canonical Smiles: CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2
• IUPAC Name: N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
• InChIKey: MMMAALHYEKMNHU-UHFFFAOYSA-N
• INCHI: 1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)
• Isomeric SMILES: CC(=O)NCCC1=C(CC2=C1C3=C(C=C2)OCC3)CC4CCCCC4
• PubChem CID: 53238181

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Coumarans Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indene - Coumaran - Alkyl aryl ether - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
• 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)

MTNR1A Tclin Melatonin receptor type 1A (2 Activities)

Discover Target: MTNR1A

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

MTNR1B Tclin Melatonin receptor type 1B (3 Activities)

Discover Target: MTNR1B

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

MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

Discover Target: MTNR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Melatonin receptor 1B (19 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action