Compound Detail
CHEMBL249420
DEXPRAMIPEXOLE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL249420 |
| Name | DEXPRAMIPEXOLE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FASDKYOPVNHBLU-SSDOTTSWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
3
Known Names
3
Indications
Molecular Properties
211.3
MW (Da)
1.58
ALogP
4
HBA
2
HBD
50.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Amyotrophic Lateral Sclerosis Asthma Hypereosinophilic Syndrome
Activity Summary
Ki 3 meas. best 9.18
EC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.18 | 9.18 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | EC50 | 5.07 | 4.735 | 8511.4 | 2 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.86 | 4.86 | 13803.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.6607 | nM | 9.18 | Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293... | 33548637 |
| D(2) dopamine receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK29... | 33548637 |
| Histamine H2 receptor | EC50 | = | 8511.38 | nM | 5.07 | Agonist activity at human histamine receptor expressed in sf9 insect cell membra... | 33548637 |
| Histamine H2 receptor | Ki | = | 13803.84 | nM | 4.86 | Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 i... | 33548637 |
| Histamine H2 receptor | EC50 | = | 39810.72 | nM | 4.4 | Agonist activity at human histamine H2 receptor expressed in HEK293T cells co-ex... | 33548637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H2 receptor | 5 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Unchecked | 2 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H1 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H3 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H4 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | D(2) dopamine receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine