Compound Detail
CHEMBL212160
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Basic Information
| ChEMBL ID | CHEMBL212160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZHJMSJFFNOURP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
2.85
ALogP
7
HBA
0
HBD
50.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 9.03 | 9.03 | 0.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.55 | 6.39 | 280.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 0.94 | nM | 9.03 | Displacement of [3H]spiperone from human dopamine receptor D4.4 in CHO cell memb... | 16789750 |
| D(2) dopamine receptor | Ki | = | 280.0 | nM | 6.55 | Displacement of [3H]spiperone from human dopamine receptor D2(short) in CHO cell... | 16789750 |
| D(2) dopamine receptor | Ki | = | 590.0 | nM | 6.23 | Displacement of [3H]spiperone from human dopamine receptor D2(long) in CHO cell ... | 16789750 |
| D(3) dopamine receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]spiperone from human dopamine receptor D3 in CHO cell membra... | 16789750 |
| D(1A) dopamine receptor | Ki | = | 27000.0 | nM | 4.57 | Displacement of [3H]SCH 23990 from dopamine receptor D1 in porcine striatal memb... | 16789750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789750 | 10.1021/jm060166w | D(2) dopamine receptor | 2 |
| 16789750 | 10.1021/jm060166w | Dopamine receptors; D2 & D4 | 1 |
| 16789750 | 10.1021/jm060166w | Adrenergic receptor alpha-1 | 1 |
| 16789750 | 10.1021/jm060166w | 5-hydroxytryptamine receptor 2A | 1 |
| 16789750 | 10.1021/jm060166w | 5-hydroxytryptamine receptor 1A | 1 |
| 16789750 | 10.1021/jm060166w | D(4) dopamine receptor | 1 |
| 16789750 | 10.1021/jm060166w | D(3) dopamine receptor | 1 |
| 16789750 | 10.1021/jm060166w | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine