Compound Detail
CHEMBL90374
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Basic Information
| ChEMBL ID | CHEMBL90374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAQPIGHSUVYYGI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
3.31
ALogP
4
HBA
0
HBD
23.8
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 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.8 | 4.74 | 16000.0 | 2 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 64.0 | nM | 7.19 | Binding affinity against human dopamine receptor D4.4 using radioligand [3H]spip... | 11495580 |
| D(3) dopamine receptor | Ki | = | 12000.0 | nM | 4.92 | Binding affinity against dopamine receptor D3 using radioligand [3H]spiperone | 11495580 |
| D(2) dopamine receptor | Ki | = | 16000.0 | nM | 4.8 | Binding affinity against dopamine receptor D2L using radioligand [3H]-spiperone | 11495580 |
| D(2) dopamine receptor | Ki | = | 21000.0 | nM | 4.68 | Binding affinity against dopamine receptor D2S using radioligand [3H]spiperone | 11495580 |
| D(1A) dopamine receptor | Ki | = | 32000.0 | nM | 4.5 | Binding affinity against dopamine receptor D1 using radioligand [3H]-SCH- 23390 | 11495580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495580 | 10.1021/jm015522j | D(2) dopamine receptor | 2 |
| 11495580 | 10.1021/jm015522j | D(1A) dopamine receptor | 1 |
| 11495580 | 10.1021/jm015522j | D(3) dopamine receptor | 1 |
| 11495580 | 10.1021/jm015522j | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine