Compound Detail
CHEMBL295094
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Basic Information
| ChEMBL ID | CHEMBL295094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFDQLTVLCXEIAI-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.3
MW (Da)
3.50
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.39 | 7.39 | 40.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.44 | 6.03 | 363.1 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.44 | 6.44 | 364.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.62 | 5.62 | 2398.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 41.0 | nM | 7.39 | Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected ... | 9191952 |
| D(4) dopamine receptor | Ki | = | 40.74 | nM | 7.39 | Binding affinity of compound towards human dopamine receptor D4 was determined | 15808487 |
| D(3) dopamine receptor | Ki | = | 364.0 | nM | 6.44 | Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected ... | 9191952 |
| D(2) dopamine receptor | Ki | = | 363.08 | nM | 6.44 | Binding affinity towards human dopamine receptor D2 was determined by using [3H]... | 15808487 |
| D(2) dopamine receptor | Ki | = | 2420.0 | nM | 5.62 | Binding affinity for human Dopamine receptor D2 expressed in CHO K1 transfected ... | 9191952 |
| Unchecked | Ki | = | 2398.83 | nM | 5.62 | Binding affinity towards dopamine receptor D2 was determined by using [3H]spiper... | 15808487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191952 | 10.1021/jm970021c | D(4) dopamine receptor | 1 |
| 9191952 | 10.1021/jm970021c | D(3) dopamine receptor | 1 |
| 9191952 | 10.1021/jm970021c | D(2) dopamine receptor | 1 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | D(4) dopamine receptor | 1 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | D(2) dopamine receptor | 1 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine