UCSF4226 - Moligand™ , Agonist of MT 1 receptor;Agonist of MT 2 receptor, CAS No.U614630, Agonist of MT 1 receptor;Agonist of MT 2 receptor

CAS: U614630 Cat. No.: U614630 PubChem CID: 103828029

GRADE & PURITY Moligand™

Synonyms

Z1610979660;ZINC000128734226

Storage

Room temperature

Specifications

同義語

Z1610979660;ZINC000128734226

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of MT 1 receptor;Agonist of MT 2 receptor

名前と識別子

• カノニカル・スマイル: COc1ccc(c(c1)CNc1cccnc1)Br
• IUPAC Name: N-[(2-bromo-5-methoxyphenyl)methyl]pyridin-3-amine
• InChIKey: BLNNXJOEJRKHAM-UHFFFAOYSA-N
• INCHI: 1S/C13H13BrN2O/c1-17-12-4-5-13(14)10(7-12)8-16-11-3-2-6-15-9-11/h2-7,9,16H,8H2,1H3
• 異性体SMILES: COC1=CC(=C(C=C1)Br)CNC2=CN=CC=C2
• PubChem CID: 103828029

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Secondary alkylarylamines Bromobenzenes Aralkylamines Aminopyridines and derivatives Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Bromobenzene - Halobenzene - Aralkylamine - Aminopyridine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

関連ターゲット（人間）

MTNR1A Tclin Melatonin receptor type 1A (0 Activities)

Discover Target: MTNR1A

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

MTNR1B Tclin Melatonin receptor type 1B (0 Activities)

Discover Target: MTNR1B

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