CEFSULODIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01DD03
UNII: OV42LHE42B

Structure
InChI Key SYLKGLMBLAAGSC-IKZMBGHXSA-O
Smile NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)C(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)/p+1/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

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- 16800 - 6600 -
Epigenetic regulator Reader Methyl-lysine/arginine binding protein MBT domain
- 98 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

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
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