Bioactive Compound Details

BioIDbio199482
NameNone
ChEMBL IDCHEMBL380047
Molecular FormulaC7H12N2O5
Molecular Weight204.18
Molecular Weight (Monoisotopic)204.0746
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-[(2-Ammoniopropanoyl)Amino]Succinate|Ala-Asp
SmilesC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InchiInChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
Inchi KeyXAEWTDMGFGHWFK-IMJSIDKUSA-N
Molecular SpeciesACID
Targets3.0
Bioactivities8.0
Np Likeness Score0.27
Records Key['Ala-Asp', '91', '4', 'Table 1, R3C5']
Records Name['Ala-Asp', '2-[(2-ammoniopropanoyl)amino]succinate', 'Ala-Asp', 'N-Alanyl-L-aspartic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure