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

CHEMBL887

RASAGILINE
💊 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
C#CCN[C@@H]1CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL887
Name RASAGILINE
Phase Approved
Structure Type MOL
InChI Key RUOKEQAAGRXIBM-GFCCVEGCSA-N
Therapeutic ✓ Yes

Known Names

AGN-1135 NSC-759639 Rasagilina Rasagiline TV-1030
8
Targets
138
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
5
Indications

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

Flags

Natural Product
USAN Stem -giline
USAN Year 1995

Extended Properties

Molecular Formula C12H13N
MW 171.24
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.63

Indications

Parkinson Disease Supranuclear Palsy, Progressive Alzheimer Disease Amyotrophic Lateral Sclerosis Restless Legs Syndrome

ATC Classification

N04BD02
rasagiline
Level 1: NERVOUS SYSTEM
Level 2: ANTI-PARKINSON DRUGS

Activity Summary

IC50 131 meas. best 9.0
Ki 7 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] A
CHEMBL3358
 IC50 9.0 7.04 1.0 4
5-hydroxytryptamine receptor 6
CHEMBL3371
 Ki 8.85 8.85 1.4 1
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 8.4 7.3958 4.0 64
Amine oxidase [flavin-containing] B
CHEMBL2993
 IC50 8.37 7.2286 4.3 7
Amine oxidase [flavin-containing] B
CHEMBL2039
 Ki 8.12 6.89 7.6 5
Acetylcholinesterase
CHEMBL220
 IC50 7.72 7.72 19.0 1
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 7.5 5.7109 32.0 45
Unchecked
CHEMBL612545
 IC50 5.68 5.68 2100.0 1
Cholinesterase
CHEMBL1914
 IC50 5.32 5.32 4760.0 1
Amine oxidase [flavin-containing] A
CHEMBL1951
 Ki 5.01 5.01 9700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] A IC50 = 1.0 nM 9.0 Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytrypt... 25627172
5-hydroxytryptamine receptor 6 Ki = 1.4 nM 8.85 Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells meas... 32949963
Amine oxidase [flavin-containing] B IC50 = 4.0 nM 8.4 Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substr... -
Amine oxidase [flavin-containing] B IC50 = 4.0 nM 8.4 Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substr... -
Amine oxidase [flavin-containing] B IC50 = 4.31 nM 8.37 Inhibition of Sprague-Dawley rat liver MAO-B using p-tyramine as substrate prein... 30522087
Amine oxidase [flavin-containing] B IC50 = 4.4 nM 8.36 In vitro inhibitory concentration against Monoamine oxidase B of rat brain homog... 12431053
Amine oxidase [flavin-containing] B IC50 = 4.4 nM 8.36 Inhibition of human MAO-B 32920430
Amine oxidase [flavin-containing] B IC50 = 4.4 nM 8.36 Inhibition of MAO-B in rat brain using [14C]-phenylethylamine as substrate prein... 31082225
Amine oxidase [flavin-containing] B IC50 = 4.4 nM 8.36 Inhibition of MAOB 18181565
Amine oxidase [flavin-containing] B IC50 = 4.4 nM 8.36 Inhibition of rat brain MAO-B using [14C]-phenylethylamine as substrate preincub... 31421966
Amine oxidase [flavin-containing] B IC50 = 6.0 nM 8.22 Inhibition of human MAO-B 33887441
Amine oxidase [flavin-containing] B Ki = 7.6 nM 8.12 Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incub... 25600407
Amine oxidase [flavin-containing] B IC50 = 7.87 nM 8.1 Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as ... 27692996
Amine oxidase [flavin-containing] B IC50 = 8.4 nM 8.08 Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... 31005056
Amine oxidase [flavin-containing] B IC50 = 9.97 nM 8.0 Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... 28237559
Amine oxidase [flavin-containing] B IC50 = 10.0 nM 8.0 Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated... 29339253
Amine oxidase [flavin-containing] B IC50 = 11.6 nM 7.94 Inhibition of recombinant human MAOB expressed in baculovirus infected in BTI ce... 32089390
Amine oxidase [flavin-containing] B IC50 = 13.0 nM 7.89 Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... 31265934
Amine oxidase [flavin-containing] B IC50 = 13.0 nM 7.89 Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... 30522087
Amine oxidase [flavin-containing] B IC50 = 14.0 nM 7.85 Inhibition of human recombinant MAOB assessed as H2O2 production by Amplex Red r... 22978824

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15027867 10.1021/jm0310885 Amine oxidase [flavin-containing] B 7
15027867 10.1021/jm0310885 Amine oxidase [flavin-containing] A 7
15027867 10.1021/jm0310885 Unchecked 4
25600407 10.1016/j.bmc.2014.12.063 Amine oxidase [flavin-containing] B 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
36716641 10.1016/j.ejmech.2023.115142 Amine oxidase [flavin-containing] B 3
30404719 10.1016/j.bmcl.2018.10.048 Amine oxidase [flavin-containing] B 3
33887441 10.1016/j.bmcl.2021.128051 Mus musculus 3
27244485 10.1021/acs.jmedchem.6b00527 Amine oxidase [flavin-containing] B 3
33887441 10.1016/j.bmcl.2021.128051 BV-2 3
38894921 10.1021/acsmedchemlett.3c00532 Amine oxidase [flavin-containing] B 3
33887441 10.1016/j.bmcl.2021.128051 SH-SY5Y 3
32240904 10.1016/j.ejmech.2020.112265 Amyloid-beta precursor protein 2
27692996 10.1016/j.bmc.2016.09.050 NON-PROTEIN TARGET 2
22071524 10.1016/j.bmc.2011.10.049 Unchecked 2
31711793 10.1016/j.ejmech.2019.111770 Amine oxidase [flavin-containing] B 2
30522087 10.1016/j.ejmech.2018.11.009 Amine oxidase [flavin-containing] B 2
31229875 10.1016/j.ejmech.2019.06.026 Unchecked 2
30245401 10.1016/j.ejmech.2018.07.056 Amine oxidase [flavin-containing] B 2

Data from ChEMBL 36 via Core Engine