GSK1370319A - Moligand™ , Antagonist of P2X7, CAS No.G610686, Antagonist of P2X7

CAS: G610686 Cat. No.: G610686 PubChem CID: 67461788

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 P2X7

Names and Identifiers

• Canonical Smiles: O=C([C@@H]1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl
• IUPAC Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
• InChIKey: YMNOJCVLDDTECB-NSHDSACASA-N
• INCHI: 1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
• Isomeric SMILES: CN1[C@@H](CCC1=O)C(=O)NCC2=C(C=C(C=C2)Cl)Cl
• PubChem CID: 67461788

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Pyrrolidinecarboxamides Dichlorobenzenes Pyrrolidine-2-ones N-alkylpyrrolidines Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - 1,3-dichlorobenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Chlorobenzene - Halobenzene - Benzenoid - N-alkylpyrrolidine - Aryl chloride - 2-pyrrolidone - Pyrrolidone - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

P2RX7 Tchem P2X purinoceptor 7 (4 Activities)

Discover Target: P2RX7

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

P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)

Discover Target: P2RX7

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

Mechanisms of Action