MRE 3010F20 - Moligand™ , Antagonist of A 3 receptor, CAS No.M612015, Antagonist of A 3 receptor

CAS: M612015 Cat. No.: M612015 PubChem CID: 73754994

GRADE & PURITY Moligand™

Synonyms

MRE-3010F20

Storage

Room temperature

Specifications

Synonyms

MRE-3010F20

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of A 3 receptor

Names and Identifiers

• Canonical Smiles: CCCn1cc2c(n1)N=C(C1C2=NC(=N1)C1CCCO1)NC(=O)Nc1cccc(c1)Cl
• InChIKey: AQJYVSDITBKWSI-UHFFFAOYSA-N
• INCHI: 1S/C21H22ClN7O2/c1-2-8-29-11-14-16-17(25-19(24-16)15-7-4-9-31-15)20(26-18(14)28-29)27-21(30)23-13-6-3-5-12(22)10-13/h3,5-6,10-11,15,17H,2,4,7-9H2,1H3,(H2,23,26,27,28,30)
• Isomeric SMILES: CCCN1C=C2C3=NC(=NC3C(=NC2=N1)NC(=O)NC4=CC(=CC=C4)Cl)C5CCCO5
• PubChem CID: 73754994

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Chlorobenzenes Aryl chlorides Pyrazoles Heteroaromatic compounds Imidazoles Oxolanes Ureas Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carboxamidines Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Oxolane - Pyrazole - Urea - Amidine - Carboxylic acid amidine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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)

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

Discover Target: ADORA3

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