Details of the Drug

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]
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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: CHEBI:58196
TTD ID: D0U6DZ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.