CEFADROXIL

Search structure
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01DB05
UNII: Q525PA8JJB

Structure
InChI Key BOEGTKLJZSQCCD-UEKVPHQBSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- - - 3000-3020 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 21-101
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 8620 20

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis, Pulmonary 2 D014397 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 50370-12-2
ChEBI 3479
ChEMBL CHEMBL1644
DrugBank DB01140
DrugCentral 526
EPA CompTox DTXSID8022749
FDA SRS Q525PA8JJB
Human Metabolome Database HMDB0015271
Guide to Pharmacology 4831
KEGG C06878
PubChem 47964
SureChEMBL SCHEMBL151320
ZINC ZINC000003830391
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