Bioactive Compound Details

BioIDbio197221
NameNone
ChEMBL IDCHEMBL264001
Molecular FormulaC6H14N2O3
Molecular Weight162.19
Molecular Weight (Monoisotopic)162.1004
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Deoxystreptamine
SmilesN[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-
Inchi KeyDTFAJAKTSMLKAT-JDCCYXBGSA-N
Molecular SpeciesBASE
Targets9.0
Bioactivities24.0
Np Likeness Score1.43
Records Key['4', '1 (Deoxystreptamine)', '1', '9', '5', '2-DOS', '45', '2-DOS']
Records Name['(1R,2R,3S,4R,6S)-4,6-Diamino-cyclohexane-1,2,3-triol', '(1R,3R,6R)-4,6-Diamino-cyclohexane-1,2,3-triol', '(1S,2R,3R,4S,6R)-4,6-Diamino-cyclohexane-1,2,3-triol', '2-deoxystreptamine', '4,6-Diamino-cyclohexane-1,2,3-triol', '2-Deoxystreptamine', '4,6-Diamino-cyclohexane-1,2,3-triol (2-deoxystreptamine)', '2-deoxystreptamine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure