Compound Detail
CHEMBL165171
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Basic Information
| ChEMBL ID | CHEMBL165171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVRQBYGOXHPKHC-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
6.45
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.28 | 5.21 | 5200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1400.0 | nM | 5.85 | Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4 | 10691700 |
| D(3) dopamine receptor | Ki | = | 1800.0 | nM | 5.75 | Binding Affinity was tested on the high affinity site of Dopamine receptor D3 | 10691700 |
| D(1A) dopamine receptor | Ki | = | 2200.0 | nM | 5.66 | Binding Affinity was tested on High Affinity Site of Bovine dopamine receptor D1... | 10691700 |
| D(2) dopamine receptor | Ki | = | 5200.0 | nM | 5.28 | Binding affinity on High Affinity Site of Dopamine receptor D2L | 10691700 |
| D(2) dopamine receptor | Ki | = | 7300.0 | nM | 5.14 | Binding Affinity on High Affinity Site of Dopamine receptor D2S | 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