CEFADROXIL

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Synonyms
Status
Molecule Category Free-form
ATC J01DB05
UNII Q525PA8JJB
EPA CompTox DTXSID8022749

Structure

InChI Key BOEGTKLJZSQCCD-UEKVPHQBSA-N
Smiles CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
InChI
InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N3O5S
Molecular Weight 363.39
AlogP 0.15
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 132.96
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 3.5-101.2
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 20
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.52-101.2
Homo sapiens
- - - - 3.5-21

Related Entries

Cross References

Resources Reference
ChEBI 3479
ChEMBL CHEMBL1644
DrugBank DB01140
DrugCentral 526
FDA SRS Q525PA8JJB
Human Metabolome Database HMDB0015271
Guide to Pharmacology 4831
KEGG C06878
PubChem 47964
SureChEMBL SCHEMBL151320
ZINC ZINC000003830391
CONTENTS