CEFDITOREN PIVOXIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 78THA212DH
EPA CompTox DTXSID2048743

Structure

InChI Key AFZFFLVORLEPPO-UVYJNCLZSA-N
Smiles CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1
InChI
InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28N6O7S3
Molecular Weight 620.74
AlogP 2.3
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 175.4
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 41.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed Wikipedia FDA
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
- - - - 64.03-82.75
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 64.03-82.75

Related Entries

Cross References

Resources Reference
ChEBI 560555
ChEMBL CHEMBL454446
DrugCentral 534
FDA SRS 78THA212DH
PubChem 6437877
SureChEMBL SCHEMBL182876
ZINC ZINC000003916973
CONTENTS