CEFMETAZOLE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01DC09
UNII 3J962UJT8H
EPA CompTox DTXSID7022756

Structure

InChI Key SNBUBQHDYVFSQF-HIFRSBDPSA-N
Smiles CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
InChI
InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17N7O5S3
Molecular Weight 471.55
AlogP -0.73
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 163.33
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- - - - 68-70
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 68-70

Related Entries

Cross References

Resources Reference
ChEBI 3489
ChEMBL CHEMBL1201195
DrugBank DB00274
DrugCentral 539
FDA SRS 3J962UJT8H
Human Metabolome Database HMDB0014419
KEGG C08103
PDB 4KO
PharmGKB PA164746819
PubChem 42008
SureChEMBL SCHEMBL147832
ZINC ZINC000003830417
CONTENTS