(2S)-2-[(2-benzhydryl-5-methyl-1H-imidazole-4-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid - Moligand™ , Agonist of C3a receptor, CAS No.S608942, Agonist of C3a receptor

CAS: S608942 Cat. No.: S608942 PubChem CID: 91827354

GRADE & PURITY Moligand™

Synonyms

compound 21

Storage

Room temperature

Specifications

Sinónimos

compound 21

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of C3a receptor

Nombres e identificadores

• Sonrisas canónicas: O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)CCCNC(=N)N
• InChIKey: RFBOIZXPIAOMAX-SFHVURJKSA-N
• INCHI: 1S/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/m0/s1
• Isómeros SMILES: CC1=C(N=C(N1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
• PubChem CID: 91827354

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-acyl-alpha amino acids 2,4,5-trisubstituted imidazoles 2-heteroaryl carboxamides Imidazolyl carboxylic acids and derivatives Carbonylimidazoles Heteroaromatic compounds Vinylogous amides Guanidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - 2,4,5-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Imidazole-4-carbonyl group - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

C3AR1 Tchem C3a anaphylatoxin chemotactic receptor (5 Activities)

Discover Target: C3AR1

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

C3AR1 Tchem C3a anaphylatoxin chemotactic receptor (750 Activities)

Discover Target: C3AR1

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

Mecanismos de acción