General
Preferred name
bitopertin
Synonyms
Paliflutine ()
RO4917838 ()
RG1678 ()
RG1678, RO-4917838 ()
Bitopertina ()
R-1678 ()
Ro-4917838 ()
DISC-1459 ()
RO-4917939 ()
Bitopertine ()
RG-1678 ()
P&D ID
PD047488
CAS
845614-11-1
Tags
available
drug candidate
Drug Status
investigational
Max Phase
3.0
Drug indication
obsessive-compulsive disorder
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Bitopertin is represented on ChEMBL by the R-isomer, CHEMBL1169880.
DESCRIPTION
Bitopertin is a non-competitive glycine transporter 1 (GlyT1) inhibitor (functionally a glycine reuptake inhibitor) that was developed by Roche as a potential anti-schizophrenia drug. Its chemical structure is represented in ChEMBL by the R-isomer, CHEMBL1169880.
(GtoPdb)
DESCRIPTION
Bitopertin is a potent, noncompetitive glycine reuptake inhibitor, inhibits glycine uptake at human GlyT1 with a concentration exhibiting IC50 of 25 nM.
PRICE
94
DESCRIPTION
Bitopertin is a potent and noncompetitive glycine reuptake inhibitor (GlyT1). It is effective in reducing the negative symptoms when given in combination with second generation antipsychotics. It is currently in Phase III trials for the treatment of the negative symptoms of schizophrenia.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Bitopertin (Paliflutine) (RG1678, RO-4917838) is a potent inhibitor of glycine transporter 1 (GlyT1), with Ki of 8.1 nM for human hGlyT1b and IC50 of 22-25 nM in Chinese hamster ovary cells.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
19
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Molecular Weight
543.11
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
3.94
TPSA
79.81
Fraction CSP3
0.43
Chiral centers
1.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
GlyT
GlyT1
SLC6A5, SLC6A9
Amino acid transporter,GlyT
MOA
GlyT inhibitor
glycine reuptake inhibitor
glycine transporter inhibitor
Member status
member
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Neuroscience
Source data
