CEFODIZIME

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01DD09
UNII: Z31298J4HQ

Structure
InChI Key XDZKBRJLTGRPSS-BGZQYGJUSA-N
Smile CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1
InChI
InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20N6O7S4
Molecular Weight 584.68
AlogP 1.0
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 197.4
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 8.54
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.11-2.2
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- - - 22000000-22000000 -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- - - 10000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 63214
ChEMBL CHEMBL2303613
DrugBank DB13470
DrugCentral 541
EPA CompTox DTXSID2022757
FDA SRS Z31298J4HQ
Human Metabolome Database HMDB41850
PubChem 5361871
SureChEMBL SCHEMBL151101
ZINC ZINC000003830421
CONTENTS