AZD-1236

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Synonyms
Status
Molecule Category Free-form
UNII B4OQY51WZS
EPA CompTox DTXSID30647184

Structure

InChI Key SFJFBTPHDHUUPU-OAHLLOKOSA-N
Smiles C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O
InChI
InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19ClN4O5S
Molecular Weight 402.86
AlogP 0.51
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 117.7
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Matrix metalloproteinase 12 inhibitor INHIBITOR Other PubMed

Target Conservation

Protein: Matrix metalloproteinase 9
Description: Matrix metalloproteinase-9
Organism : Homo sapiens
P14780 ENSG00000100985
Protein: Matrix metalloproteinase 12
Description: Macrophage metalloelastase
Organism : Homo sapiens
P39900 ENSG00000262406

Cross References

Resources Reference
ChEMBL CHEMBL4297352
DrugBank DB11961
FDA SRS B4OQY51WZS
Guide to Pharmacology 7844
PubChem 24751752
SureChEMBL SCHEMBL942315
ZINC ZINC000059688588
CONTENTS