Compound Detail
CHEMBL155596
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Basic Information
| ChEMBL ID | CHEMBL155596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQHSYAQISCFWOK-ZDUSSCGKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
3.08
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.0 | nM | 8.7 | Binding affinity of compound for Dopamine receptor D2 using [3H]N-0437 | 12570379 |
| D(2) dopamine receptor | Ki | = | 2.0 | nM | 8.7 | Agonist activity at dopamine D2 receptor (unknown origin) | 35462165 |
| D(1A) dopamine receptor | Ki | = | 3.0 | nM | 8.52 | Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390 | 12570379 |
| D(1A) dopamine receptor | Ki | = | 3.0 | nM | 8.52 | Agonist activity at dopamine D1 receptor (unknown origin) | 35462165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00518-5 | D(1A) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00518-5 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00518-5 | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/S0960-894X(96)00518-5 | Adrenergic receptor alpha-2 | 1 |
| 12570379 | 10.1021/jm020990u | D(1A) dopamine receptor | 1 |
| 12570379 | 10.1021/jm020990u | D(2) dopamine receptor | 1 |
| 35462165 | 10.1016/j.ejmech.2022.114378 | D(2) dopamine receptor | 1 |
| 35462165 | 10.1016/j.ejmech.2022.114378 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine