SISOMICIN

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Synonyms
Status
Molecule Category Free-form
ATC J01GB08
UNII X55XSL74YQ

Structure

InChI Key URWAJWIAIPFPJE-YFMIWBNJSA-N
Smiles CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
InChI
InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H37N5O7
Molecular Weight 447.53
AlogP -3.85
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 6.0
Polar Surface Area 213.72
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Staphylococcus aureus
- 7-7 - - 75-100

Related Entries

Cross References

Resources Reference
ChEBI 9169
ChEMBL CHEMBL221886
DrugBank DB12604
DrugCentral 2447
FDA SRS X55XSL74YQ
Guide to Pharmacology 10858
KEGG C00494
PDB SIS
PubChem 36119
SureChEMBL SCHEMBL49395
ZINC ZINC000056870809
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