PD-140548 - Moligand™ , Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor, CAS No.140677-01-6, Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor

CAS: 140677-01-6 Cat. No.: P612650 PubChem CID: 9915756

GRADE & PURITY Moligand™

Synonyms

PD 140548;PD-140,548;PD140548

Storage

Room temperature

Specifications

Synonyms

PD 140548;PD-140, 548;PD140548

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor

Names and Identifiers

• Canonical Smiles: OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1
• IUPAC Name: (3R)-3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoic acid
• InChIKey: PGOLWKTUHWHYJS-KUAXMQRVSA-N
• INCHI: 1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m1/s1
• Isomeric SMILES: C[C@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@H](CC3=CC=CC=C3)CC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6
• PubChem CID: 9915756

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Tryptamines and derivatives Alpha amino acid amides Beta amino acids and derivatives 3-alkylindoles Amphetamines and derivatives Substituted pyrroles Fatty amides Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hybrid peptide - Alpha-amino acid amide - Triptan - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole or derivatives - Indole - Monocyclic benzene moiety - Substituted pyrrole - Fatty acyl - Fatty amide - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through 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

Associated Targets(Human)

CCKAR Tclin Cholecystokinin receptor type A (1 Activities)

Discover Target: CCKAR

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

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)