Compound Detail
CHEMBL377542
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Basic Information
| ChEMBL ID | CHEMBL377542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHAOYUDOVIKTMJ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.19
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.38 | 4.38 | 42000.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.19 | 4.18 | 64000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 500.0 | nM | 6.3 | Displacement of [3H]spiperone from human dopamine receptor D4.4 in CHO cell memb... | 16789750 |
| D(1A) dopamine receptor | Ki | = | 15000.0 | nM | 4.82 | Displacement of [3H]SCH 23990 from dopamine receptor D1 in porcine striatal memb... | 16789750 |
| D(3) dopamine receptor | Ki | = | 42000.0 | nM | 4.38 | Displacement of [3H]spiperone from human dopamine receptor D3 in CHO cell membra... | 16789750 |
| D(2) dopamine receptor | Ki | = | 64000.0 | nM | 4.19 | Displacement of [3H]spiperone from human dopamine receptor D2(long) in CHO cell ... | 16789750 |
| D(2) dopamine receptor | Ki | = | 68000.0 | nM | 4.17 | Displacement of [3H]spiperone from human dopamine receptor D2(short) in CHO cell... | 16789750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789750 | 10.1021/jm060166w | Dopamine receptors; D2 & D4 | 2 |
| 16789750 | 10.1021/jm060166w | D(2) dopamine receptor | 2 |
| 16789750 | 10.1021/jm060166w | Unchecked | 1 |
| 16789750 | 10.1021/jm060166w | Dopamine receptors; D3 & 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