OXACILLIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01CF04
UNII UH95VD7V76
EPA CompTox DTXSID8023397

Structure

InChI Key UWYHMGVUTGAWSP-JKIFEVAISA-N
Smiles Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
InChI
InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N3O5S
Molecular Weight 401.44
AlogP 1.9
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 112.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Staphylococcus aureus subsp. aureus COL
- - - - 5

Related Entries

Cross References

Resources Reference
ChEBI 7809
ChEMBL CHEMBL819
DrugBank DB00713
DrugCentral 2006
FDA SRS UH95VD7V76
Human Metabolome Database HMDB0014851
Guide to Pharmacology 10943
KEGG C07334
PharmGKB PA450725
PubChem 6196
SureChEMBL SCHEMBL3817
ZINC ZINC000003875439
CONTENTS