Details of the Drug

General Information of Drug (ID: DMHIGDM)

Drug Name
benzylserine
Synonyms O-benzyl-L-serine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 195.21
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H13NO3
IUPAC Name
(2S)-2-amino-3-phenylmethoxypropanoic acid
Canonical SMILES
C1=CC=C(C=C1)COC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey
IDGQXGPQOGUGIX-VIFPVBQESA-N
Cross-matching ID
PubChem CID
78457
CAS Number
4726-96-9
TTD ID
D0VX9R
VARIDT ID
DR01068
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Alanine/serine/cysteine transporter 2 (SLC1A5) TTF7WRM AAAT_HUMAN Inhibitor [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: 4500).
2 New inhibitors for the neutral amino acid transporter ASCT2 reveal its Na+-dependent anion leak. J Physiol. 2004 Jun 15;557(Pt 3):747-59.