RP-69758 - Moligand™ , Antagonist of CCK 2 receptor, CAS No.138562-23-9, Antagonist of CCK 2 receptor

CAS: 138562-23-9 Cat. No.: R613285 PubChem CID: 9847721

GRADE & PURITY Moligand™

Synonyms

RP 69758

Storage

Room temperature

Specifications

동의어

RP 69758

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of CCK 2 receptor

이름과 식별자

• 정식 스마일: O=C(Nc1cccc(c1)CC(=O)O)NCC(=O)N(c1ccccc1)CC(=O)N(c1ccccc1)C
• IUPAC Name: 2-[3-[[2-[[2-(methyl-phenylamino)-2-oxoethyl]-phenylamino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
• InChIKey: CRUWRCOXWORZBA-UHFFFAOYSA-N
• INCHI: 1S/C26H26N4O5/c1-29(21-11-4-2-5-12-21)24(32)18-30(22-13-6-3-7-14-22)23(31)17-27-26(35)28-20-10-8-9-19(15-20)16-25(33)34/h2-15H,16-18H2,1H3,(H,33,34)(H2,27,28,35)
• 이성체 SMILES: CN(C1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)CC(=O)O
• PubChem CID: 9847721

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Peptidomimetics
      • Subclass Peptoid-peptide hybrids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Peptidomimetics
• Subclass: Peptoid-peptide hybrids
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptoid-peptide hybrids
• Alternative Parents: Dipeptides N-carbamoyl-alpha amino acids and derivatives Alpha amino acid amides N-phenylureas Anilides Branched fatty acids Tertiary carboxylic acid amides Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Peptoid/peptide hybrid - Alpha-dipeptide - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-phenylurea - Alpha-amino acid or derivatives - Anilide - Branched fatty acid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as peptoid-peptide hybrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other by a peptide bond.
• 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

관련 대상(인간)

CCKBR Tclin Gastrin/cholecystokinin type B receptor (1 Activities)

Discover Target: CCKBR

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