General
Preferred name
NISOXETINE
Synonyms
NISOXETINE HYDROCHLORIDE ()
[3H]NISOXETINE ()
Nisoxetine (hydrochloride) ()
Nisoxetine HCl ()
Compound 89218 ()
LY-94939 ()
NSC-283481 ()
[3H]nisoxetine ()
[3H]-Nisoxetine ()
P&D ID
PD004153
CAS
57754-86-6
53179-07-0
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Antidepressant
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 5-HT reuptake inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Potent and selective norepinephrine reuptake blocker (LOPAC library)
DESCRIPTION Noradrenalin re-uptake inhibitor (Tocriscreen Total)
Cell lines
0
Organisms
2
Compound Sets
19
Cayman Chemical Bioactives
29637
ChEMBL Drugs
CHEMBL295467
Concise Guide to Pharmacology 2017/18
4637
4636
Concise Guide to Pharmacology 2019/20
4637
4636
Concise Guide to Pharmacology 2021/22
4637
4636
Concise Guide to Pharmacology 2023/24
4637
4636
DrugBank
DB09186
DrugMAP
DMZBNH0
DMS3WNG
DrugMatrix
Guide to Pharmacology
4637
4636
Ki Database
Nisoxetine
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL295467
MedChem Express Bioactive Compound Library
HY-B1704A
HY-B1704
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Tocris Bioactive Compound Library
1025
Tocriscreen Total
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
271.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
3.42
TPSA
30.49
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Reuptake
Primary Target
Adrenergic Transporters
MOA
Inhibitor
Pathway
Membrane Transporter/Ion Channel
Target
Monoamine transporter
Sodium Channel
Source data