CEFAMANDOLE NAFATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 8HDO7941DO
EPA CompTox DTXSID00205891

Structure

InChI Key RRJHESVQVSRQEX-SUYBPPKGSA-N
Smiles Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1
InChI
InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17N6NaO6S2
Molecular Weight 512.51
AlogP -0.04
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 156.61
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR ISBN ISBN 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
- - - - 63-64.97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 63-64.97

Cross References

Resources Reference
ChEBI 53654
ChEMBL CHEMBL1201218
DrugBank DB14725
DrugCentral 528
FDA SRS 8HDO7941DO
PubChem 23665731
SureChEMBL SCHEMBL6440440
ZINC ZINC000003830397
ChEBI 3481
ChEMBL CHEMBL1618
FDA SRS 8HDO7941DO
KEGG C08102
PubChem 23665731
SureChEMBL SCHEMBL181311
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