Compound Detail
CHEMBL15242
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Basic Information
| ChEMBL ID | CHEMBL15242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKVYRMAXMYKCCI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
4.79
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 31.0 | nM | 7.51 | Binding affinity to Dopamine receptor D2 was determined | 11354362 |
| D(4) dopamine receptor | Ki | = | 92.0 | nM | 7.04 | Binding affinity to Dopamine receptor D4 was determined | 11354362 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2000.0 | nM | 5.7 | Binding affinity to 5-hydroxytryptamine 1A receptor was determined | 11354362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354362 | 10.1016/s0960-894x(01)00167-6 | D(2) dopamine receptor | 1 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | D(4) dopamine receptor | 1 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine