KANAMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A07AA08 J01GB04 S01AA24
UNII EQK9Q303C5
EPA CompTox DTXSID3023184

Structure

InChI Key SBUJHOSQTJFQJX-NOAMYHISSA-N
Smiles NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H36N4O11
Molecular Weight 484.5
AlogP -7.29
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 6.0
Polar Surface Area 282.61
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -5.91-17.57
Unclassified protein
- - 100 - 100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- 135 - - -
Electrophorus electricus
- - - - 17.57
Equus caballus
- - - -
Escherichia coli
- 30-400 - - -
Mycobacterium tuberculosis
- - - - 90
Pseudomonas aeruginosa
- 49 - - -
Staphylococcus aureus
- 300 - - -

Related Entries

Cross References

Resources Reference
ChEBI 17630
ChEMBL CHEMBL1384
DrugBank DB01172
DrugCentral 1519
FDA SRS EQK9Q303C5
Human Metabolome Database HMDB0015303
KEGG C01822
PDB KAN
PharmGKB PA450137
SureChEMBL SCHEMBL2735
ZINC ZINC000008214590
CONTENTS