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Compound Detail

CHEMBL1201142

RASAGILINE MESYLATE
💊 Approved Drug
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💊 Approved Drug
C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1201142
Name RASAGILINE MESYLATE
Phase Approved
Structure Type MOL
InChI Key JDBJJCWRXSVHOQ-UTONKHPSSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL887
Active Moiety CHEMBL887

Known Names

Agilect Azilect Rasagiline (as mesilate) Rasagiline mesilate Rasagiline mesylate Rasagiline ratiopharm Rasagline ratiopharm TVP-1012
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
18
Publications
8
Known Names
2
Indications
1
Mechanisms

Molecular Properties

171.2
MW (Da)
1.90
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2005
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -giline
USAN Year 1995

Extended Properties

Molecular Formula C13H17NO3S
MW 267.35
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.63

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Monoamine oxidase B inhibitor INHIBITOR Amine oxidase [flavin-containing] B ✓ ✓

Indications

Parkinson Disease Multiple System Atrophy

Activity Summary

IC50 7 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2993
 IC50 8.35 8.35 4.4 1
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 7.85 7.5933 14.0 3
Amine oxidase [flavin-containing] A
CHEMBL3358
 IC50 6.38 6.38 412.0 1
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 6.15 5.34 710.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] B IC50 = 4.43 nM 8.35 Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 mi... 24955776
Amine oxidase [flavin-containing] B IC50 = 14.0 nM 7.85 Inhibition of human brain MAO-B using [14C]-phenylethylamine substrate after 20 ... 24955776
Amine oxidase [flavin-containing] B IC50 = 32.3 nM 7.49 Inhibition of human recombinant MAO-B using tyramine as substrate incubated for ... 37992521
Amine oxidase [flavin-containing] B IC50 = 36.0 nM 7.44 Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infect... 32380361
Amine oxidase [flavin-containing] A IC50 = 412.0 nM 6.38 Inhibition of rat brain MAO-A using [14C]-5- hydroxytryptamine creatinine disulp... 24955776
Amine oxidase [flavin-containing] A IC50 = 710.0 nM 6.15 Inhibition of human brain MAO-A using [14C]-5- hydroxytryptamine creatinine disu... 24955776
Amine oxidase [flavin-containing] A IC50 = 29500.0 nM 4.53 Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infect... 32380361

Literature References

PubMed DOI Target Context # Activities
25627172 10.1021/jm501722s Hepatocyte 4
24955776 10.1021/jm500729a Amine oxidase [flavin-containing] A 2
24955776 10.1021/jm500729a Amine oxidase [flavin-containing] B 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37992521 10.1016/j.ejmech.2023.115956 Amine oxidase [flavin-containing] A 1
37992521 10.1016/j.ejmech.2023.115956 Amine oxidase [flavin-containing] B 1
32380361 10.1016/j.ejmech.2020.112282 Amine oxidase [flavin-containing] A 1
32380361 10.1016/j.ejmech.2020.112282 Unchecked 1
32380361 10.1016/j.ejmech.2020.112282 Cholinesterase 1
32380361 10.1016/j.ejmech.2020.112282 Acetylcholinesterase 1
32380361 10.1016/j.ejmech.2020.112282 Amine oxidase [flavin-containing] B 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 4 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1
23956101 10.1093/toxsci/kft176 Bile salt export pump 1
24955776 10.1021/jm500729a Unchecked 1

Data from ChEMBL 36 via Core Engine