FLOXACILLIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 43B2M34G2V

Structure
InChI Key UIOFUWFRIANQPC-JKIFEVAISA-N
Smile Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
InChI
InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClFN3O5S
Molecular Weight 453.88
AlogP 2.69
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 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 11.23
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.37-13.68
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- - - 3200000 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 208600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Staphylococcal Infections 3 D013203 ClinicalTrials
Cellulitis 3 D002481 ClinicalTrials
Skin Diseases 3 D012871 ClinicalTrials
Osteomyelitis 2 D010019 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials
Infections 1 D007239 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5098
ChEMBL CHEMBL222645
DrugBank DB00301
DrugCentral 1183
EPA CompTox DTXSID8023056
FDA SRS 43B2M34G2V
Human Metabolome Database HMDB14446
Guide to Pharmacology 10910
KEGG C11748
PharmGKB PA164781042
PubChem 21319
SureChEMBL SCHEMBL3823
ZINC ZINC000004102187
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