AF-488-telenzepine - Moligand™ , Antagonist of M 1 receptor;Antagonist of M 2 receptor, CAS No.A607502, Antagonist of M 1 receptor;Antagonist of M 2 receptor

CAS: A607502 Cat. No.: A607502 PubChem CID: 91827379

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of M 1 receptor;Antagonist of M 2 receptor

Names and Identifiers

• Canonical Smiles: O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2
• InChIKey: SRLBGILQMKQWSJ-UHFFFAOYSA-H
• INCHI: 1S/C49H57N7O12S3/c1-29-42-35(28-69-29)48(59)53-38-12-8-9-13-39(38)56(42)40(57)27-55-24-22-54(23-25-55)21-11-7-5-3-2-4-6-10-20-52-47(58)30-14-15-31(34(26-30)49(60)61)41-32-16-18-36(50)45(70(62,63)64)43(32)68-44-33(41)17-19-37(51)46(44)71(65,66)67/h8-9,12-19,26,28,50,62-67H,2-7,10-11,20-25,27,51H2,1H3,(H,52,58)(H,53,59)(H,60,61)/p-6
• Isomeric SMILES: CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)CCCCCCCCCCNC(=O)C5=CC(=C(C=C5)C6=C7C=CC(=N)C(=C7OC8=C6C=CC(=C8S([O-])([O-])[O-])N)S([O-])([O-])[O-])C(=O)O
• PubChem CID: 91827379

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Benzodiazepines Alpha amino acids and derivatives Thienodiazepines N-piperazineacetamides Benzamides Benzoic acids Benzoyl derivatives 1,4-diazepines N-alkylpiperazines Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Amino acids Trialkylamines Secondary carboxylic acid amides Lactams Oxacyclic compounds Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organosulfur compounds Primary amines Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Benzodiazepine - Alpha-amino acid or derivatives - N-piperazineacetamide - Thieno-para-diazepine - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Para-diazepine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Lactam - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Primary amine - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (1 Activities)

Discover Target: CHRM2

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (1 Activities)

Discover Target: CHRM1

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