aminoethoxyvinylglycine   Click here for help

GtoPdb Ligand ID: 8860

Abbreviated name: AVG
Synonyms: aviglycine
Compound class: Synthetic organic
Comment: Inhibitor of cystathionine γ-lyase (CSE). This compound is commonly used as its hydrochloride salt, AVG-HCl (PubChem CID 16211101).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 98.57
Molecular weight 160.08
XLogP -3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(C(=O)O)C=COCCN
Isomeric SMILES N[C@H](C(=O)O)/C=C/OCCN
InChI InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1
InChI Key USGUVNUTPWXWBA-JRIXXDKMSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Cystathionine γ-lyase Hs Inhibitor Inhibition 6.0 pIC50 - 1
pIC50 6.0 (IC50 1x10-6 M) [1]