Details of the Drug

General Information of Drug (ID: DMNCU6H)

Drug Name
Neamine
Synonyms
Neamine; Neomycin A; Negamicin; Nebramycin X; Dekamycin V; 3947-65-7; Neamin; UNII-5981U00LY0; C12H26N4O6; BRN 0026714; 4-O-(2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-2-deoxy-D-streptamine; 2-Desoxy-4-O-(2,6-diamino-2,6-didesoxy-alpha-D-glucopyranosyl)-D-streptamin; CHEBI:7489; 5981U00LY0; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside; D-Streptamine, 2-deoxy-4-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 322.36
Logarithm of the Partition Coefficient (xlogp) -5.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 8
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C12H26N4O6
IUPAC Name
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]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)CN)O)O)N)O)O)N
InChI
InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
InChIKey
SYJXFKPQNSDJLI-HKEUSBCWSA-N
Cross-matching ID
PubChem CID
72392
ChEBI ID
CHEBI:7489
CAS Number
3947-65-7
DrugBank ID
DB04808
TTD ID
D0I1NU

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.