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Compound Detail

CHEMBL596802

PRIDOPIDINE
🧪 Phase III
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🧪 Phase III
CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596802
Name PRIDOPIDINE
Phase Phase III
Structure Type MOL
InChI Key YGKUEOZJFIXDGI-UHFFFAOYSA-N

Known Names

ACR-16 ACR16 FR-310826 FR310826 Huntexil Pridopidina Pridopidine
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
14
Publications
7
Known Names
3
Indications
1
Mechanisms

Molecular Properties

281.4
MW (Da)
2.68
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -dopidine
USAN Year 2010

Extended Properties

Molecular Formula C15H23NO2S
MW 281.42
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.46

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dopamine D2 receptor modulator MODULATOR D(2) dopamine receptor ✓ ✓

Indications

Huntington Disease Amyotrophic Lateral Sclerosis Parkinson Disease

Activity Summary

Ki 9 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
 Ki 7.77 7.26 17.0 4
D(2) dopamine receptor
CHEMBL217
 Ki 5.12 4.952 7500.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sigma non-opioid intracellular receptor 1 Ki = 17.0 nM 7.77 Binding affinity to sigma 1 receptor (unknown origin) 36202063
Sigma non-opioid intracellular receptor 1 Ki = 81.7 nM 7.09 Inhibition of [3H](+)-pentazocine binding to human sigma1 receptor expressed in ... 33111525
Sigma non-opioid intracellular receptor 1 Ki = 82.0 nM 7.09 Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition con... 36716640
Sigma non-opioid intracellular receptor 1 Ki = 82.0 nM 7.09 Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition con... 38753759
D(2) dopamine receptor Ki = 7521.0 nM 5.12 Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity s... 20155917
D(2) dopamine receptor Ki = 7500.0 nM 5.12 Binding affinity to dopamine D2 (high) receptor (unknown origin) 33111525
D(2) dopamine receptor Ki = 10000.0 nM 5.0 Binding affinity to D2R receptor (unknown origin) 36202063
D(2) dopamine receptor Ki = 17550.0 nM 4.76 Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity st... 20155917
D(2) dopamine receptor Ki = 17500.0 nM 4.76 Binding affinity to dopamine D2 (low) receptor (unknown origin) 33111525

Literature References

PubMed DOI Target Context # Activities
20155917 10.1021/jm901689v D(2) dopamine receptor 4
23043306 10.1021/jm300975f Rattus norvegicus 4
20155917 10.1021/jm901689v Rattus norvegicus 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
33111525 10.1021/acs.jmedchem.0c01192 D(2) dopamine receptor 2
23043306 10.1021/jm300975f Amine oxidase [flavin-containing] A 1
23043306 10.1021/jm300975f Sodium-dependent serotonin transporter 1
23353756 10.1016/j.ejmech.2012.12.031 Amine oxidase [flavin-containing] A 1
33111525 10.1021/acs.jmedchem.0c01192 Sigma non-opioid intracellular receptor 1 1
36202063 10.1016/j.bmc.2022.117032 Sigma non-opioid intracellular receptor 1 1
36202063 10.1016/j.bmc.2022.117032 D(2) dopamine receptor 1
36716640 10.1016/j.ejmech.2023.115163 Sigma non-opioid intracellular receptor 1 1
38753759 10.1021/acs.jmedchem.4c00288 Sigma non-opioid intracellular receptor 1 1
38753759 10.1021/acs.jmedchem.4c00288 Sigma intracellular receptor 2 1

Data from ChEMBL 36 via Core Engine