compound 9 [PMID: 1738140]   Click here for help

GtoPdb Ligand ID: 8677

Compound class: Synthetic organic
Comment: Compound 9 selectively inhibits cytosolic aspartyl aminopeptidase (DNPEP) [1], relative to argininyl aminopeptidase (aminopeptidase B, RNPEP) and microsomal aminopeptidase N (ANPEP).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 75.35
Molecular weight 264.18
XLogP 1.76
No. Lipinski's rules broken 0
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Canonical SMILES OC(C(=O)NCCC(C)C)C(Cc1ccccc1)N
Isomeric SMILES O[C@H](C(=O)NCCC(C)C)[C@@H](Cc1ccccc1)N
InChI InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Aminopeptidase A Primary target of this compound Hs Inhibitor Inhibition 6.3 pKi - 1
pKi 6.3 (Ki 5.1x10-7 M) [1]