AGE

(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide

Created: 2008-11-03
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count11
2D diagram of AGE
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Chemical Component Summary

Name(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
SynonymsAPHA Compound 8; 3-(1-Methyl-4-phenylacetyl-1H-2-pyrrolyl)-N-hydroxypropenamide
Systematic Name (OpenEye OEToolkits)(E)-N-hydroxy-3-[1-methyl-4-(2-phenylethanoyl)pyrrol-2-yl]prop-2-enamide
FormulaC16 H16 N2 O3
Molecular Weight284.31
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(c1cc(\C=C\C(=O)NO)n(c1)C)Cc2ccccc2
SMILESCACTVS3.341Cn1cc(cc1C=CC(=O)NO)C(=O)Cc2ccccc2
SMILESOpenEye OEToolkits1.5.0Cn1cc(cc1C=CC(=O)NO)C(=O)Cc2ccccc2
Canonical SMILESCACTVS3.341 Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2
InChIInChI1.03 InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+
InChIKeyInChI1.03 UFQOXIMRSMFQRI-BQYQJAHWSA-N

Drug Info: DrugBank

DrugBank IDDB07350 
Name(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
Groups experimental
Synonyms(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Histone deacetylase 8MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYAL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 10379137
ChEMBL CHEMBL12760
ChEBI CHEBI:94735