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]
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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

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]

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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.