cmp5 - Moligand™ , Inhibitor of protein arginine methyltransferase 5, CAS No.C608610, Inhibitor of protein arginine methyltransferase 5

CAS: C608610 Cat. No.: C608610 PubChem CID: 4722575

GRADE & PURITY Moligand™

Synonyms

ChemBridge ID 9033823

Storage

Room temperature

Specifications

Sinónimos

ChemBridge ID 9033823

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of protein arginine methyltransferase 5

Nombres e identificadores

• Sonrisas canónicas: CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1
• IUPAC Name: 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine
• InChIKey: GAVUWQFIRGBDHN-UHFFFAOYSA-N
• INCHI: 1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3
• Isómeros SMILES: CCN1C2=C(C=C(C=C2)CNCC3=CN=CC=C3)C4=CC=CC=C41
• PubChem CID: 4722575

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Aralkylamines Substituted pyrroles Pyridines and derivatives Benzenoids Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Aralkylamine - Pyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene 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

Objetivos asociados (humanos)

PRMT5 Tchem Protein arginine N-methyltransferase 5 (0 Activities)

Discover Target: PRMT5

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

Propiedades químicas y físicas

• Peso molecular: 315.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 315.174 Da
• Monoisotopic Mass: 315.174 Da
• Topological Polar Surface Area: 29.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 399.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1