Compound Detail
CHEMBL165022
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Basic Information
| ChEMBL ID | CHEMBL165022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFCGTXOJJUJIIE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
243.4
MW (Da)
3.61
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 3900.0 | nM | 5.41 | Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4 | 10691700 |
| D(3) dopamine receptor | Ki | = | 4400.0 | nM | 5.36 | Binding Affinity was tested on the high affinity site of Dopamine receptor D3 | 10691700 |
| D(2) dopamine receptor | Ki | = | 12000.0 | nM | 4.92 | Binding affinity on High Affinity Site of Dopamine receptor D2L | 10691700 |
| D(1A) dopamine receptor | Ki | = | 16000.0 | nM | 4.8 | Binding Affinity was tested on High Affinity Site of Bovine Dopamine D1 Receptor... | 10691700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691700 | 10.1021/jm991098z | D(2) dopamine receptor | 2 |
| 10691700 | 10.1021/jm991098z | D(3) dopamine receptor | 1 |
| 10691700 | 10.1021/jm991098z | D(4) dopamine receptor | 1 |
| 10691700 | 10.1021/jm991098z | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine