CEFAMANDOLE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01DC03
UNII 5CKP8C2LLI
EPA CompTox DTXSID7022750

Structure

InChI Key OLVCFLKTBJRLHI-AXAPSJFSSA-N
Smiles Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1
InChI
InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18N6O5S2
Molecular Weight 462.51
AlogP -0.23
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 150.54
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed PubMed PubMed PubMed
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
- - - - 2.7-30.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 2.7-30.2

Related Entries

Cross References

Resources Reference
ChEBI 3480
ChEMBL CHEMBL1146
DrugBank DB01326
DrugCentral 527
FDA SRS 5CKP8C2LLI
Human Metabolome Database HMDB0015421
KEGG C06879
PDB SMX
PharmGKB PA448837
PubChem 456255
SureChEMBL SCHEMBL37287
ZINC ZINC000003830394
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