CGP 62349 - Moligand™ , Antagonist of GABA B1;Antagonist of GABA B receptor, CAS No.187608-26-0, Antagonist of GABA B1;Antagonist of GABA B receptor

CAS: 187608-26-0 Cat. No.: C608508 PubChem CID: 5310936

GRADE & PURITY Moligand™

Synonyms

GTPL1072 | CID 5310936 | 3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid | CGP62349 | CGP-62349 | CGP 62349 | DTXSID80415496 | [3H]CGP 62349 | [3H]-CGP 62349 | SCHEMBL12477448 | GTPL3429 | Q

Storage

Room temperature

Specifications

Synonyms

GTPL1072 | CID 5310936 | 3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid | CGP62349 | CGP-62349 | CGP 62349 | DTXSID80415496 | [3H]CGP 62349 | [3H]-CGP 62349 | SCHEMBL12477448 | GTPL3429 | Q

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of GABA B1;Antagonist of GABA B receptor

Names and Identifiers

• Canonical Smiles: COc1ccc(cc1)CP(=O)(C[C@H](CN([C@@H](c1cccc(c1)C(=O)O)C)C)O)O
• IUPAC Name: 3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid
• InChIKey: AKUSEWDIEMJQBM-BEFAXECRSA-N
• INCHI: 1S/C21H28NO6P/c1-15(17-5-4-6-18(11-17)21(24)25)22(2)12-19(23)14-29(26,27)13-16-7-9-20(28-3)10-8-16/h4-11,15,19,23H,12-14H2,1-3H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
• Isomeric SMILES: C[C@H](C1=CC(=CC=C1)C(=O)O)N(C)C[C@@H](CP(=O)(CC2=CC=C(C=C2)OC)O)O
• PubChem CID: 5310936

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Secondary alcohols Amino acids 1,2-aminoalcohols Carboxylic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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)

KCTD8 Tbio BTB/POZ domain-containing protein KCTD8 (0 Activities)

Discover Target: KCTD8

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

GABBR2 Tclin Gamma-aminobutyric acid type B receptor subunit 2 (0 Activities)

Discover Target: GABBR2

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

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)

KCTD12 Tchem BTB/POZ domain-containing protein KCTD12 (0 Activities)

Discover Target: KCTD12

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

KCTD16 Tbio BTB/POZ domain-containing protein KCTD16 (0 Activities)

Discover Target: KCTD16

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