General Information of Drug (ID: DMV4OKR)

Drug Name
L-erythro-3-hydroxyaspartate
Synonyms
(3R)-3-hydroxy-L-aspartate; erythro-3-Hydroxy-L-aspartate; L-erythro-3-hydroxyaspartate; L-erythro-beta-hydroxyaspartate; erythro-3-hydroxy-aspartic acid; CHEBI:58196; (3R)-3-hydroxy-L-aspartate anion; (3R)-3-hydroxy-L-aspartate(1-); ZB015320
Indication
Disease Entry ICD 11 Status REF
Neurodegenerative disorder 8A20-8A23 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 148.09
Logarithm of the Partition Coefficient (xlogp) -3.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H6NO5-
IUPAC Name
(2S,3R)-2-azaniumyl-3-hydroxybutanedioate
Canonical SMILES
[C@H]([C@H](C(=O)[O-])O)(C(=O)[O-])[NH3+]
InChI
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/p-1/t1-,2+/m0/s1
InChIKey
YYLQUHNPNCGKJQ-NHYDCYSISA-M
Cross-matching ID
PubChem CID
28125549
ChEBI ID
CHEMBL58196
TTD ID
D0U6DZ
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine Racemase (SRR) TTZFUY6 SRR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of human serine racemase, an emerging target for medicinal chemistry. Curr Drug Targets. 2011 Jun;12(7):1037-55.