tanomastat   Click here for help

GtoPdb Ligand ID: 6468

Synonyms: BAY 12-9566 | BAY-12-9566 | BAY-129566
Compound class: Synthetic organic
Comment: This compound failed testing in Phase 3 clinical trials.
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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 8
Topological polar surface area 79.67
Molecular weight 410.07
XLogP 6.19
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)C(CC(=O)c1ccc(cc1)c1ccc(cc1)Cl)CSc1ccccc1
Isomeric SMILES OC(=O)[C@H](CC(=O)c1ccc(cc1)c1ccc(cc1)Cl)CSc1ccccc1
InChI InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
MMP2 Hs Inhibitor Inhibition 8.0 pKi - 1
pKi 8.0 (Ki 1x10-8 M) [1]