Compound Detail
CHEMBL132575
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Basic Information
| ChEMBL ID | CHEMBL132575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKGHBHDLSXHOSY-WUKNDPDISA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
3.97
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.65
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.65 | 5.65 | 2234.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.65 | 5.65 | 2234.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 170.0 | nM | 6.77 | Tested for intrinsic activity towards Dopamine receptor D2 in CHO cells | 12954065 |
| D(2) dopamine receptor | Ki | = | 2234.0 | nM | 5.65 | In vitro binding affinity towards Dopamine receptor D2 | 12954065 |
| D(2) dopamine receptor | Ki | = | 2234.0 | nM | 5.65 | Agonist activity at dopamine D2 receptor (unknown origin) | 35462165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954065 | 10.1021/jm0307786 | D(2) dopamine receptor | 3 |
| 12954065 | 10.1021/jm0307786 | D(1A) dopamine receptor | 2 |
| 12954065 | 10.1021/jm0307786 | Rattus norvegicus | 2 |
| 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