Compound Detail
CHEMBL5563974
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Basic Information
| ChEMBL ID | CHEMBL5563974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYYAWRVAKORPPE-SSDMNJCBSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.92
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.06 | 8.06 | 8.8 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 7.87 | 7.87 | 13.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.22 | 6.22 | 606.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.15 | 6.01 | 708.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 8.75 | nM | 8.06 | Binding affinity to D1 receptor (unknown origin) assessed as inhibition constant | 39038276 |
| D(1B) dopamine receptor | Ki | = | 13.4 | nM | 7.87 | Binding affinity to D5 receptor (unknown origin) assessed as inhibition constant | 39038276 |
| D(3) dopamine receptor | Ki | = | 606.0 | nM | 6.22 | Binding affinity to D3 receptor (unknown origin) assessed as inhibition constant | 39038276 |
| D(2) dopamine receptor | Ki | = | 708.0 | nM | 6.15 | Binding affinity to D2S receptor (unknown origin) assessed as inhibition constan... | 39038276 |
| D(2) dopamine receptor | Ki | = | 1340.0 | nM | 5.87 | Binding affinity to D2L receptor (unknown origin) assessed as inhibition constan... | 39038276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(2) dopamine receptor | 2 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1B) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1A) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine