EHNA   

GtoPdb Ligand ID: 5179

Synonyms: erythro-9-(2-hydroxy-3-nonyl)adenine hydrochloride
Compound class: Synthetic organic
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCCCCCC(n1cnc2c1ncnc2[NH3+])C(O)C.[Cl-]
Isomeric SMILES CCCCCC[C@H](n1cnc2c1ncnc2[NH3+])[C@H](O)C.[Cl-]
InChI InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1
InChI Key VVDXNJRUNJMYOZ-DHXVBOOMSA-N
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Adenosine deaminase Hs Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 [1]
phosphodiesterase 2A Hs Inhibitor Inhibition 5.3 pIC50 - 2
pIC50 5.3 (IC50 5.01x10-6 M) [2]
Targets where the ligand is described in the comment field
Target Comment
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