Compound Detail
CHEMBL376092
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Basic Information
| ChEMBL ID | CHEMBL376092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAFUMJMKVVCEGP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.57
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
EC50 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | EC50 | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell memb... | 17149874 |
| D(2) dopamine receptor | Ki | = | 27.0 | nM | 7.57 | Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cel... | 17149874 |
| D(4) dopamine receptor | EC50 | = | 206.0 | nM | 6.69 | Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5... | 17149874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149874 | 10.1021/jm060662k | D(4) dopamine receptor | 4 |
| 17149874 | 10.1021/jm060662k | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine