General
Preferred name
CLORGILINE
Synonyms
CLORGILINE HYDROCHLORIDE ()
CLORGYLINE HYDROCHLORIDE ()
CLORGYLINE ()
N-?Methyl-?N-?propargyl-?3-?(2,4-?dichlorophenoxy)?propylamine hydrochloride ()
Clorgyline HCl ()
M&B 9302 ()
Clorgyline (hydrochloride) ()
P&D ID
PD006555
CAS
17780-75-5
17780-72-2
Tags
natural product
drug
available
Drug indication
Skin imperfections
Parkinson disease
Drug Status
experimental
approved
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 Clorgiline is an analogue of . (GtoPdb)
DESCRIPTION Selective MAO-A inhibitor (LOPAC library)
DESCRIPTION Clorgyline is a potent monoamine oxidase (MAO) inhibitor that preferentially targets MAO-A over MAO-B (Kis = 0.054 and 58 µM, respectively). This inhibition is irreversible. Clorgyline is without effect on serotonin receptors, but it does inhibit the sigma receptor σ1 on Jurkat human T lymphocyte cells (IC50 = 31 nM). (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
23
BOC Sciences Bioactive Compounds
clorgyline-hydrochloride-cas-17780-75-5-item-88665
Cayman Chemical Bioactives
15925
ChEMBL Drugs
CHEMBL8706
Concise Guide to Pharmacology 2017/18
6636
Concise Guide to Pharmacology 2021/22
6636
Concise Guide to Pharmacology 2023/24
6636
Drug Repurposing Hub
DrugBank
DB04017
DrugMAP
DMCEUJD
DrugMAP Approved Drugs
DMCEUJD
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS101408
Guide to Pharmacology
6636
Ki Database
CLORGYLINE
LOPAC library
MedChem Express Bioactive Compound Library
HY-14197A
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
clorgyline-hcl
TargetMol Bioactive Compound Library
T1117
The Spectrum Collection
ZINC Tool Compounds
ZINC000022200090
External IDs
47
Properties
(calculated by RDKit )
Molecular Weight
271.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
1
cLogP
3.33
TPSA
12.47
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
MAO-A
Pathway
Metabolism
Neuroscience
Neuronal Signaling
Target
MAO
MAOA
Monoamine Oxidase
MOA
monoamine oxidase inhibitor
Therapeutic Class
Antiparkinson Agents
Source data