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FNDR-20123 , CAS No.1267502-34-0, Plasmodium falciparum histone deacetylase 1
Basic Description
Specifications & Purity
Moligand™
Grade
Moligand™
Mechanism of action
Plasmodium falciparum histone deacetylase 1
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,3-triazoles
Alternative Parents
Benzoic acids and derivatives Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Hydroxamic acids Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,3-triazole - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Hydroxamic acid - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
INCHI
InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)
InChIKey
MTAWGBVDXCFYOF-UHFFFAOYSA-N
Smiles
ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1
Isomeric SMILES
C1CCN(C1)CC2=CC=C(C=C2)C3=CN(N=N3)CC4=CC=C(C=C4)C(=O)NO
PubChem CID
50991199
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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