Details of the Drug

General Information of Drug (ID: DM79E2K)

Drug Name
Aminodeoxykanamycin
Synonyms
Aminodeoxykanamycin; bekanamycin; Kanamycin B; nebramycin factor 5; Bekanamycine; Bekanamycinum; Becanamicina; Bekanamycinum [INN-Latin]; Bekanamycine [INN-French]; Becanamicina [INN-Spanish]; EINECS 225-170-5; BRN 0061646; Aminodeoxykanamycin sulfate; 4696-76-8; Antibiotic derived from Streptomyces kanamyceticus; AC1L2FQA; AC1Q57UP; Antibiotic derived from Streptomyces kanamyceticus. Kanamycin B; (1r,2s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-; A-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
ATC Code
J01GB13: Aminodeoxykanamycin
J01GB: Other aminoglycosides
J01G: AMINOGLYCOSIDE ANTIBACTERIALS
J01: ANTIBACTERIALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 483.5
Logarithm of the Partition Coefficient (xlogp) -7.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 11
Hydrogen Bond Acceptor Count (hbondacc) 15
Chemical Identifiers
Formula
C18H37N5O10
IUPAC Name
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol
Canonical SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N
InChI
InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey
SKKLOUVUUNMCJE-FQSMHNGLSA-N
Cross-matching ID
PubChem CID
439318
ChEBI ID
CHEBI:28098
CAS Number
4696-76-8
UNII
15JT14C3GI
DrugBank ID
DB13673
TTD ID
D0M5WG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial 16S ribosomal RNA (Bact 16S rRNA) TT38DW5 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 RNA as a target for small molecules. Curr Opin Chem Biol. 2000 Dec;4(6):678-86.