(R)-ND-336   Click here for help

GtoPdb Ligand ID: 10887

Compound class: Synthetic organic
Comment: (R)-ND-336 is an inhibitor of matrix metalloproteases (MMP) -9, -2 and -14 [1]. MMP-9 has been identified as a potential therapeutic target for the treatment of diabetic foot ulcers, where upregulation of active MMP-9 is detrimental to healing. (R)-ND-336 is selective for MMP-9 compared to MMP-8 in this target tissue, and the (S) enantiomer is less active in in vivo wound healing than the (R) enantiomer.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 77.77
Molecular weight 335.06
XLogP 2.72
No. Lipinski's rules broken 0
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Canonical SMILES NCc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C[C@@H]1SC1
Isomeric SMILES NCc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C[C@@H]1SC1
InChI InChI=1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2/t15-/m1/s1