CGP 71872 - Moligand™ , Antagonist of GABA B1, CAS No.C608511, Antagonist of GABA B1

CAS: C608511 Cat. No.: C608511 PubChem CID: 6324595

GRADE & PURITY Moligand™

Synonyms

CGP-71872;CGP71872

Storage

Room temperature

Specifications

Synonyms

CGP-71872;CGP71872

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of GABA B1

Names and Identifiers

• Canonical Smiles: [N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O
• IUPAC Name: 3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodobenzoyl)amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid
• InChIKey: IHFUJPDKHJTHGQ-QAPCUYQASA-N
• INCHI: 1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1
• Isomeric SMILES: C[C@H](C1=CC(=CC=C1)C(=O)O)NC[C@@H](CP(=O)(CCCCCNC(=O)C2=CC(=C(C=C2O)N=[N+]=[N-])I)O)O
• PubChem CID: 6324595

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Benzoic acids Benzoyl derivatives Phenylazides P-iodophenols Iodobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Vinylogous acids Azo imides Azo compounds Secondary alcohols Secondary carboxylic acid amides Amino acids 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organic zwitterions Organoiodides Organophosphorus compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid - Benzoyl - 4-halophenol - 4-iodophenol - Phenylazide - Halobenzene - Aralkylamine - Iodobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl iodide - Aryl halide - Vinylogous acid - Amino acid - Secondary carboxylic acid amide - Carboxamide group - 1,2-aminoalcohol - Azo imide - Amino acid or derivatives - Secondary alcohol - Azo compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic zwitterion - Alcohol - Organohalogen compound - Organoiodide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organophosphorus compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• 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)

GABBR1 Tclin Gamma-aminobutyric acid type B receptor subunit 1 (0 Activities)

Discover Target: GABBR1

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