Compound Detail
CHEMBL198174
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Basic Information
| ChEMBL ID | CHEMBL198174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFJQMJYOLGYPBB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
2.13
ALogP
4
HBA
0
HBD
38.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 5.4 | 5.315 | 4000.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 4000.0 | nM | 5.4 | Binding affinity towards human dopamine receptor 2 (short) expressed in Chinese ... | 16134944 |
| D(2) dopamine receptor | Ki | = | 5900.0 | nM | 5.23 | Binding affinity towards human dopamine receptor 2 (long) expressed in Chinese h... | 16134944 |
| D(3) dopamine receptor | Ki | = | 12000.0 | nM | 4.92 | Binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ... | 16134944 |
| D(4) dopamine receptor | Ki | = | 14000.0 | nM | 4.85 | Binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamste... | 16134944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134944 | 10.1021/jm0503805 | D(2) dopamine receptor | 2 |
| 16134944 | 10.1021/jm0503805 | D(1A) dopamine receptor | 1 |
| 16134944 | 10.1021/jm0503805 | D(3) dopamine receptor | 1 |
| 16134944 | 10.1021/jm0503805 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine