S6716 - Moligand™ , Antagonist of UT receptor, CAS No.S613384, Antagonist of UT receptor

CAS: S613384 Cat. No.: S613384 PubChem CID: 9803617

GRADE & PURITY Moligand™

Synonyms

3-amidinobenzylindole carboxamide 23

Storage

Room temperature

Specifications

Synonyms

3-amidinobenzylindole carboxamide 23

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of UT receptor

Names and Identifiers

Canonical Smiles

NC(=N)c1cccc(c1)Cn1c(cc2c1cccc2C)C(=O)NCc1cccc2c1cccc2

IUPAC Name

1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-(naphthalen-1-ylmethyl)indole-2-carboxamide

InChIKey

IDKGPACCMPKKQB-UHFFFAOYSA-N

INCHI

1S/C29H26N4O/c1-19-7-4-14-26-25(19)16-27(33(26)18-20-8-5-11-22(15-20)28(30)31)29(34)32-17-23-12-6-10-21-9-2-3-13-24(21)23/h2-16H,17-18H2,1H3,(H3,30,31)(H,32,34)

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC(=CC=C3)C(=N)N)C(=O)NCC4=CC=CC5=CC=CC=C54

PubChem CID

9803617

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Naphthalenes N-alkylindoles Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboximidamides Carboxamidines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - N-alkylindole - Naphthalene - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Amidine - Carboxylic acid derivative - Carboxylic acid amidine - Carboximidamide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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)

F10 Tclin Coagulation factor X (1 Activities)

Discover Target: F10

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

UTS2R Tchem Urotensin-2 receptor (1 Activities)

Discover Target: UTS2R

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

Mechanisms of Action