UR-PG153 - Moligand™ , Agonist of H 1 receptor, CAS No.U614690, Agonist of H 1 receptor

CAS: U614690 Cat. No.: U614690 PubChem CID: 25150700

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of H 1 receptor

Names and Identifiers

• Canonical Smiles: O=C(CC(c1ccccc1)c1ccccc1)NC(=NCCc1cnc[nH]1)N
• IUPAC Name: N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide
• InChIKey: BCIVIRNJAROBHW-UHFFFAOYSA-N
• INCHI: 1S/C21H23N5O/c22-21(24-12-11-18-14-23-15-25-18)26-20(27)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,19H,11-13H2,(H,23,25)(H3,22,24,26,27)
• Isomeric SMILES: C1=CC=C(C=C1)C(CC(=O)NC(=NCCC2=CN=CN2)N)C3=CC=CC=C3
• PubChem CID: 25150700

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Imidazoles Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Azole - Imidazole - Heteroaromatic compound - Guanidine - Carboxylic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)

HRH1 Tclin Histamine H1 receptor (1 Activities)

Discover Target: HRH1

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

HRH2 Tclin Histamine H2 receptor (5428 Activities)

Discover Target: HRH2

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

Mechanisms of Action