CEFOTAXIME

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Synonyms
Status
Molecule Category Free-form
ATC J01DD01
UNII N2GI8B1GK7

Structure

InChI Key GPRBEKHLDVQUJE-QSWIMTSFSA-N
Smiles CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1
InChI
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N5O7S2
Molecular Weight 455.47
AlogP -0.62
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 173.51
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 500 -
Enzyme Protease Serine protease Serine protease unclassified
- - - - 0.1-100
Enzyme Protease
- - - - 0.1-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Acinetobacter baumannii
- - - 500 -
Escherichia coli
- 100 - 5-300 0.1-100
Pseudomonas aeruginosa
- 30 - - 10
Staphylococcus aureus
- 30 - - -

Related Entries

Cross References

Resources Reference
ChEBI 204928
ChEMBL CHEMBL1730
DrugBank DB00493
DrugCentral 546
FDA SRS N2GI8B1GK7
Human Metabolome Database HMDB0014636
Guide to Pharmacology 10893
KEGG C06885
PDB CE3
PubChem 5742673
SureChEMBL SCHEMBL3731931
ZINC ZINC000004468780
CONTENTS