Compound Detail
CHEMBL1202298
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Basic Information
| ChEMBL ID | CHEMBL1202298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOFHGEGAPFFFFE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL203029 |
| Active Moiety | CHEMBL203029 |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
2.72
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 8.63 | 7.3 | 2.3 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.68 | 7.075 | 20.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.18 | 7.18 | 65.7 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.78 | 6.78 | 165.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 2.32 | nM | 8.63 | Inhibition of binding to human D5 receptor expressed in HEK 293 cells by functio... | 16420061 |
| D(1A) dopamine receptor | Ki | = | 20.7 | nM | 7.68 | Inhibition of binding to human D1 receptor expressed in HEK 293 cells by functio... | 16420061 |
| D(2) dopamine receptor | Ki | = | 65.7 | nM | 7.18 | Inhibition of binding to human D2L receptor expressed in HEK 293 cells by functi... | 16420061 |
| D(4) dopamine receptor | Ki | = | 165.0 | nM | 6.78 | Inhibition of binding to human D4 receptor expressed in HEK 293 cells by radioli... | 16420061 |
| D(1A) dopamine receptor | Ki | = | 341.0 | nM | 6.47 | Inhibition of binding to human D1 receptor expressed in HEK 293 cells by radioli... | 16420061 |
| D(1B) dopamine receptor | Ki | = | 1078.0 | nM | 5.97 | Inhibition of binding to human D5 receptor expressed in HEK 293 cells by radioli... | 16420061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420061 | 10.1021/jm050846j | D(1A) dopamine receptor | 2 |
| 16420061 | 10.1021/jm050846j | D(2) dopamine receptor | 2 |
| 16420061 | 10.1021/jm050846j | D(1B) dopamine receptor | 2 |
| 16420061 | 10.1021/jm050846j | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine