Details of the Drug

General Information of Drug (ID: DMO8LPZ)

• Drug Name: Beta-Hydroxy Aspartic Acid
• Synonyms: 71653-06-0; 2-Amino-3-hydroxysuccinic Acid; Malic acid, 3-amino-; 2-amino-3-hydroxybutanedioic acid; d,l-threo-3-HYDROXYASPARTIC ACID; NSC618260; 1860-87-3; CHEBI:83981; 2-amino-3-hydroxy-butanedioic acid; 3-Hydroxy-DL-aspartic acid; Aspartic acid, 3-hydroxy-; D,L-Threo-b-hydroxyaspartic acid; DL-threo-3-Hydroxyaspartic acid; 3-aminomalic acid; EINECS 275-771-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 149.1
  Logarithm of the Partition Coefficient (xlogp); -4.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C4H7NO5
  IUPAC Name: 2-amino-3-hydroxybutanedioic acid
  Canonical SMILES: C(C(C(=O)O)O)(C(=O)O)N
  InChI: InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
  InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5425
  ChEBI ID: CHEBI:83981
  CAS Number: 71653-06-0
  UNII: GDV0MSK2SG
  DrugBank ID: DB03640
  TTD ID: D0Z8VP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor Xa (F10)	TTCIHJA	FA10_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Coagulation factor Xa (F10)	DTT	F10	4.84E-02	-0.28	-0.9

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.