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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.