Compound Detail
CHEMBL3697617
TAVAPADON 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL3697617 |
| Name | TAVAPADON |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | AKQXQLUNFKDZBN-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
3
Known Names
3
Indications
2
Mechanisms
Molecular Properties
391.4
MW (Da)
3.56
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dopamine D1 receptor partial agonist | PARTIAL AGONIST | D(1A) dopamine receptor | ✓ | ✓ |
| Dopamine D5 receptor partial agonist | PARTIAL AGONIST | D(1B) dopamine receptor | ✓ | ✓ |
Indications
Parkinson Disease Kidney Diseases Liver Diseases
Activity Summary
Ki 6 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.07 | 7.94 | 8.5 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 8.54 | nM | 8.07 | Competition Binding Assay: The affinity of the compounds described herein was de... | - |
| D(1A) dopamine receptor | Ki | = | 8.54 | nM | 8.07 | Partial agonist activity at human D1R | 30525590 |
| D(1A) dopamine receptor | Ki | = | 8.54 | nM | 8.07 | Binding affinity to D1 receptor (unknown origin) assessed as inhibition constant | 39038276 |
| D(1A) dopamine receptor | Ki | = | 8.54 | nM | 8.07 | Receptor Binding Assay: D1 binding assays were performed using over-expressing L... | - |
| D(1A) dopamine receptor | Ki | = | 21.0 | nM | 7.68 | Competition Binding Assay: The affinity of the compounds described herein was de... | - |
| D(1A) dopamine receptor | Ki | = | 21.0 | nM | 7.68 | Receptor Binding Assay: D1 binding assays were performed using over-expressing L... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30525590 | 10.1021/acs.jmedchem.8b01767 | D(1A) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine