Details of the Drug

General Information of Drug (ID: DMFEYLS)

Drug Name
[3H]GlySar
Synonyms [3H]-GlySar; tritiated glycylsarcosine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 146.14
Logarithm of the Partition Coefficient (xlogp) -3.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C5H10N2O3
IUPAC Name
2-[(2-aminoacetyl)-methylamino]acetic acid
Canonical SMILES
CN(CC(=O)O)C(=O)CN
InChI
InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
InChIKey
VYAMLSCELQQRAE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
93131
ChEBI ID
CHEBI:155876
CAS Number
29816-01-1
TTD ID
D0Q3VU
VARIDT ID
DR01125

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Solute carrier family 15 member 1 (SLC15A1) TT5LF3C S15A1_HUMAN Modulator [2]
Solute carrier family 15 member 2 (SLC15A2) TT27Q3A S15A2_HUMAN Modulator [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Solute carrier family 15 member 1 (SLC15A1) OT1P16B5 S15A1_HUMAN Gene/Protein Processing [4]
Solute carrier family 15 member 2 (SLC15A2) OTDV7YES S15A2_HUMAN Regulation of Drug Effects [5]
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: 4659).
2 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. (Target id: 984).
3 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. (Target id: 985).
4 Absorption of lisdexamfetamine dimesylate and its enzymatic conversion to d-amphetamine. Neuropsychiatr Dis Treat. 2010 Jun 24;6:317-27.
5 Completing the Enalaprilat Excretion Pathway-Renal Handling by the Proximal Tubule. Pharmaceutics. 2020 Sep 30;12(10):935. doi: 10.3390/pharmaceutics12100935.