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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:16857
CAS Number: 72-19-5
DrugBank ID: DB00156
TTD ID: D0N0GE
VARIDT ID: DR00244

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.