Compound Detail
CHEMBL423659
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Basic Information
| ChEMBL ID | CHEMBL423659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVWOLSSJSAUBFF-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.07
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.62
EC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.62 | 7.5867 | 24.0 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.52 | 5.45 | 3019.9 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.38 | 5.38 | 4168.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 24.0 | nM | 7.62 | Agonist activation of human dopamine receptor stimulating mitogenesis in Dopamin... | 9191952 |
| D(4) dopamine receptor | Ki | = | 23.99 | nM | 7.62 | Binding affinity towards human dopamine receptor D4 expressed in CHO cells was d... | 15808487 |
| D(4) dopamine receptor | Ki | = | 27.0 | nM | 7.57 | Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected ... | 9191952 |
| D(4) dopamine receptor | Ki | = | 26.92 | nM | 7.57 | Binding affinity of compound towards human dopamine receptor D4 was determined | 15808487 |
| D(2) dopamine receptor | Ki | = | 3019.95 | nM | 5.52 | Binding affinity towards human dopamine receptor D2 was determined by using [3H]... | 15808487 |
| D(2) dopamine receptor | Ki | = | 4180.0 | nM | 5.38 | Binding affinity for human Dopamine receptor D2 expressed in CHO K1 transfected ... | 9191952 |
| Unchecked | Ki | = | 4168.69 | nM | 5.38 | 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 | 3 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | D(4) dopamine receptor | 2 |
| 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(2) dopamine receptor | 1 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine