Compound Detail
CHEMBL300778
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Basic Information
| ChEMBL ID | CHEMBL300778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCVFZVSEYSSSHP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.8
MW (Da)
4.40
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.75 | 6.4067 | 177.8 | 3 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.72 | 5.72 | 1905.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 179.0 | nM | 6.75 | Binding affinity towards dopamine receptor D1 using [3H]SCH-23390 was determined... | 7996543 |
| D(1A) dopamine receptor | Ki | = | 177.83 | nM | 6.75 | Binding affinity against dopamine receptor D1 | 7996543 |
| D(1A) dopamine receptor | Ki | = | 1900.0 | nM | 5.72 | Binding affinity towards dopamine (D1) receptor using [3H]spiperone was determin... | 7996543 |
| D(2) dopamine receptor | Ki | = | 1905.46 | nM | 5.72 | Binding affinity against dopamine (D2) receptor | 7996543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7996543 | 10.1021/jm00051a008 | D(1A) dopamine receptor | 3 |
| 10464009 | 10.1021/jm980415j | D(1A) dopamine receptor | 1 |
| 7996543 | 10.1021/jm00051a008 | D(2) dopamine receptor | 1 |
| 7996543 | 10.1021/jm00051a008 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine