AZD6605   

GtoPdb Ligand ID: 7823

Synonyms: AZ 11920155 | AZ-11920155 | AZ11920155 | AZD 6605 | AZD-6605
Compound class: Synthetic organic
Comment: AZD6605 is a potent, reversible inhibitor of matrix metalloproteinases MMP13 (Collagenase 3), MMP2, MMP9 and MMP12. The discovery of this compound is described in [1], where it is compound 3m.
This compound was in the AstraZeneca/MRC repurposing list from 2011.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 122.42
Molecular weight 483.11
XLogP 3.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)CC1(C)NC(=O)NC1=O)(F)F)F
Isomeric SMILES FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)C[C@@]1(C)NC(=O)NC1=O)(F)F)F
InChI InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1
InChI Key SBVAXUGOISPYPX-QGZVFWFLSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(5S)-5-methyl-5-[[4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
Synonyms
AZ 11920155 | AZ-11920155 | AZ11920155 | AZD 6605 | AZD-6605
Database Links
ChEMBL Ligand CHEMBL2409707
GtoPdb PubChem SID 223366154
PubChem CID 11641563
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