Compound Detail
CHEMBL1202217
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Basic Information
| ChEMBL ID | CHEMBL1202217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTQOISWPPCAEIJ-IUFJOMBNSA-N |
| Parent Compound | CHEMBL125910 |
| Active Moiety | CHEMBL125910 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.62
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.77 | 6.77 | 171.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.49 | 6.49 | 324.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | IC50 | = | 37.0 | nM | 7.43 | Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 ... | 11052797 |
| D(2) dopamine receptor | IC50 | = | 171.0 | nM | 6.77 | Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 ... | 11052797 |
| Adrenergic receptor alpha-1 | IC50 | = | 324.0 | nM | 6.49 | Binding affinity to alpha-1 adrenergic receptor from rat brain homogenate, using... | 11052797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052797 | 10.1021/jm990562x | D(2) dopamine receptor | 1 |
| 11052797 | 10.1021/jm990562x | D(4) dopamine receptor | 1 |
| 11052797 | 10.1021/jm990562x | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine