General
Preferred name
NE-100
Synonyms
NE 100 hydrochloride ()
NE 100 ()
P&D ID
PD049636
CAS
149409-57-4
Tags
available
drug candidate
probe
Drug indication
Schizophrenia
Probe info
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
2
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
Potent and selective BCRP inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
Selective sigma1 antagonist
(Tocriscreen Plus)
DESCRIPTION
NE 100 hydrochloride is a σ1 receptor antagonist with IC50 value of 4.16 nM. It displays antipsychotic activity in vivo.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
14
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugMAP
DrugMatrix
Guide to Pharmacology
Probe Miner (suitable probes)
ReFrame library
Tocris Bioactive Compound Library
Tocriscreen Plus
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Molecular Weight
355.25
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
12
Ring Count
2
Aromatic Ring Count
2
cLogP
4.98
TPSA
21.7
Fraction CSP3
0.48
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Other Pharmacology
Primary Target
?1 Receptors
MOA
Antagonist
Sigma receptor antagonist
Target
SIGMAR1
Source data
