KANAMYCIN

Search structure
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A07AA08
UNII: EQK9Q303C5

Structure
InChI Key SBUJHOSQTJFQJX-NOAMYHISSA-N
Smile NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[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
- - - - 18
Enzyme
- 6800 - - 18
Unclassified protein
- 9400-11500 100 - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis 3 D014376 ClinicalTrials
Tuberculosis, Multidrug-Resistant 2 D018088 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 59-01-8
ChEBI 17630
ChEMBL CHEMBL1384
DrugBank DB01172
DrugCentral 1519
EPA CompTox DTXSID3023184
FDA SRS EQK9Q303C5
Human Metabolome Database HMDB0015303
KEGG C01822
PDB KAN
PharmGKB PA450137
SureChEMBL SCHEMBL2735
ZINC ZINC000008214590
CONTENTS