GSK866 - Moligand™ , Agonist of Glucocorticoid receptor, CAS No.G610733, Agonist of Glucocorticoid receptor

CAS: G610733 Cat. No.: G610733 PubChem CID: 25058139

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of Glucocorticoid receptor

Names and Identifiers

• Canonical Smiles: CCN(C(=O)c1c(Cl)cccc1Cl)C[C@](C(F)(F)F)(CNC(=O)c1cnn(c1N)c1ccc(cc1)F)O
• IUPAC Name: 5-amino-N-[(2S)-2-[[(2,6-dichlorobenzoyl)-ethylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
• InChIKey: LKQMULLPLYLIGW-QFIPXVFZSA-N
• INCHI: 1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m0/s1
• Isomeric SMILES: CCN(C[C@@](CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N)(C(F)(F)F)O)C(=O)C3=C(C=CC=C3Cl)Cl
• PubChem CID: 25058139

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: 2-halobenzoic acids and derivatives Benzamides Pyrazole-4-carboxamides Dichlorobenzenes Benzoyl derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Fluorohydrins Azacyclic compounds Primary amines Organic oxides Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Pyrazole-4-carboxamide - 1,3-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Tertiary alcohol - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Fluorohydrin - Halohydrin - Azacycle - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Organofluoride - Organooxygen compound - Organochloride - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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)

NR3C1 Tclin Glucocorticoid receptor (1 Activities)

Discover Target: NR3C1

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