Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1128

EDROPHONIUM CHLORIDE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
CC[N+](C)(C)c1cccc(O)c1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1128
Name EDROPHONIUM CHLORIDE
Phase Approved
Structure Type MOL
InChI Key BXKDSDJJOVIHMX-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1104
Active Moiety CHEMBL1104

Known Names

Antirex Camsilon Chlorure d'edrophonium Cloruro de edrofonio Edrophonii chloridum Edrophonium chloride Edrophonium chloride component of enlon-plus Edrophonium chloride preservative free Enlon NSC-759577 Reversol Tensilon +1 more
2
Targets
17
Activities
2
Assay Types
0
PK Parameters
20
Publications
13
Known Names
1
Mechanisms

Molecular Properties

166.2
MW (Da)
1.98
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1951
Availability Discontinued
Chirality Achiral

Routes of Administration

Parenteral

Flags

Natural Product
USAN Stem -ium; -onium

Extended Properties

Molecular Formula C10H16ClNO
MW 201.70
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.56

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Acetylcholinesterase inhibitor INHIBITOR Acetylcholinesterase ✓ ✓

Activity Summary

IC50 9 meas. best 7.3
Ki 8 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL4768
 IC50 7.3 7.3 50.0 1
Acetylcholinesterase
CHEMBL220
 IC50 6.7 5.776 200.0 5
Acetylcholinesterase
CHEMBL220
 Ki 6.7 5.8943 200.0 7
Acetylcholinesterase
CHEMBL4768
 Ki 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 50.0 nM 7.3 Inhibition of Acetylcholinesterase activity of calf forebrain 9301662
Acetylcholinesterase IC50 = 200.0 nM 6.7 Inhibition of Acetylcholinesterase from human red blood cells 9301662
Acetylcholinesterase Ki = 200.0 nM 6.7 Binding affinity against Acetylcholinesterase of human RBC 9301662
Acetylcholinesterase Ki = 200.0 nM 6.7 Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB) 9301662
Acetylcholinesterase Ki = 400.0 nM 6.4 Binding affinity against Acetylcholinesterase of purified Octopus brain (OB) 9301662
Acetylcholinesterase IC50 = 500.0 nM 6.3 Inhibition of Acetylcholinesterase activity from octopus brain 9301662
Acetylcholinesterase Ki = 790.0 nM 6.1 Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by ... 21236521
Acetylcholinesterase Ki = 800.0 nM 6.1 Inhibition of human erythrocytes recombinant AChE assessed as dissociation const... 21397501
Acetylcholinesterase Ki = 4800.0 nM 5.32 Dissociation constant for enzyme-inhibitor-substrate complex of human recombinan... 21236521
Acetylcholinesterase Ki = 4800.0 nM 5.32 Inhibition of human erythrocytes recombinant AChE assessed as dissociation const... 21397501
Acetylcholinesterase Ki = 4800.0 nM 5.32 Competitive inhibition of human recombinant AChE using ATChCl as substrate by Li... 24220173
Acetylcholinesterase IC50 = 5000.0 nM 5.3 Inhibition of human erythrocyte recombinant AChE by modified Ellman's method 21397501
Acetylcholinesterase IC50 = 5170.0 nM 5.29 Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis 21236521
Acetylcholinesterase IC50 = 5170.0 nM 5.29 Inhibition of human recombinant AChE after 5 mins by Ellman's method 24220173

Literature References

PubMed DOI Target Context # Activities
9301662 10.1021/jm970141k Acetylcholinesterase 6
21236521 10.1016/j.ejmech.2010.12.011 Acetylcholinesterase 3
21397501 10.1016/j.bmcl.2011.02.047 Acetylcholinesterase 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24220173 10.1016/j.bmcl.2013.10.043 Acetylcholinesterase 2
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
24220173 10.1016/j.bmcl.2013.10.043 Cholinesterase 1
24220173 10.1016/j.bmcl.2013.10.043 Cholinesterases; ACHE & BCHE 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
21397501 10.1016/j.bmcl.2011.02.047 Cholinesterases; ACHE & BCHE 1
21397501 10.1016/j.bmcl.2011.02.047 Cholinesterase 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
21236521 10.1016/j.ejmech.2010.12.011 Cholinesterases; ACHE & BCHE 1
21236521 10.1016/j.ejmech.2010.12.011 Cholinesterase 1

Data from ChEMBL 36 via Core Engine