CEFSULODIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01DD03
UNII OV42LHE42B

Structure

InChI Key SYLKGLMBLAAGSC-QLVMHMETSA-N
Smiles NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)[C@H]3SC2)cc1
InChI
InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H20N4O8S2
Molecular Weight 532.56
AlogP -0.9
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 190.88
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 36.0

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(%)
Epigenetic regulator Reader Methyl-lysine/arginine binding protein MBT domain
- 98 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 98 - - -

Cross References

Resources Reference
ChEBI 3507
ChEMBL CHEMBL3351077
DrugBank DB13499
DrugCentral 558
FDA SRS OV42LHE42B
Guide to Pharmacology 10783
KEGG C11253
PubChem 656575
SureChEMBL SCHEMBL65525
CONTENTS