Details of the Drug

General Information of Drug (ID: DMFHTBX)

Drug Name
L-threonine
Synonyms
L-threonine; threonine; 72-19-5; H-Thr-OH; Threonin; L-(-)-Threonine; (2S,3R)-2-amino-3-hydroxybutanoic acid; (S)-Threonine; 2-amino-3-hydroxybutyric acid; H-DL-Thr-OH; Threonine (VAN); Treonina [Spanish]; Threoninum [Latin]; Threonine [USAN:INN]; Threonine, L-; (2S,3R)-2-Amino-3-hydroxybutyric acid; thre; L-Threonin; L-thr; (2S)-threonine; L-alpha-Amino-beta-hydroxybutyric acid; (2S,3R)-(-)-Threonine; 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; UNII-2ZD004190S; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 119.12
Logarithm of the Partition Coefficient (xlogp) -2.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C4H9NO3
IUPAC Name
(2S,3R)-2-amino-3-hydroxybutanoic acid
Canonical SMILES
C[C@H]([C@@H](C(=O)O)N)O
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey
AYFVYJQAPQTCCC-GBXIJSLDSA-N
Cross-matching ID
PubChem CID
6288
ChEBI ID
CHEMBL16857
CAS Number
72-19-5
UNII
2ZD004190S
DrugBank ID
DB00156
TTD ID
D0N0GE
VARIDT ID
DR00244
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Alanine/serine/cysteine/threonine transporter 2 (SLC1A5) DTW7AE3 AAAT_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4785).
2 D-Serine Is a Substrate for Neutral Amino Acid Transporters ASCT1/SLC1A4 and ASCT2/SLC1A5, and Is Transported by Both Subtypes in Rat Hippocampal Astrocyte Cultures. PLoS One. 2016 Jun 7;11(6):e0156551.