LY303336 - Moligand™ , Antagonist of AT 1 receptor, CAS No.157187-00-3, Antagonist of AT 1 receptor

CAS: 157187-00-3 Cat. No.: L611645 PubChem CID: 10416728

GRADE & PURITY Moligand™

Synonyms

LY 303336;LY-303336

Storage

Room temperature

Specifications

Synonyms

LY 303336;LY-303336

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of AT 1 receptor

Names and Identifiers

• Canonical Smiles: CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O
• IUPAC Name: (2S,4S)-4-(4-carboxyphenoxy)-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
• InChIKey: HHFYOGBTLFTWQX-QTJGBDASSA-N
• INCHI: 1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23+,24-/m0/s1
• Isomeric SMILES: CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)C(=O)O)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O
• PubChem CID: 10416728

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: N-acyl-L-alpha-amino acids Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzamides Benzenesulfonyl compounds Benzoic acids Pyrrolidine carboxylic acids Phenoxy compounds Phenol ethers Benzoyl derivatives N-acylpyrrolidines Imidazolyl carboxylic acids and derivatives Alkyl aryl ethers N-substituted imidazoles Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Organosulfonic acids Sulfonyls Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Proline or derivatives - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoic acid - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Phenoxy compound - Imidazolyl carboxylic acid derivative - Benzoyl - Phenol ether - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - N-substituted imidazole - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Pyrrolidine - Azole - Tertiary carboxylic acid amide - Organosulfonic acid or derivatives - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

AGTR1 Tclin Type-1 angiotensin II receptor (1 Activities)

Discover Target: AGTR1

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

Associated Targets(non-human)

Agtr1b Type-1B angiotensin II receptor (525 Activities)

Discover Target: Agtr1b

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

Mechanisms of Action