Compound Detail
CHEMBL91453
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Basic Information
| ChEMBL ID | CHEMBL91453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOPHHPYKMCJUCP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
2.54
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.69 | 6.69 | 203.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.66 | 5.66 | 2197.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 203.1 | nM | 6.69 | Compound was tested in vitro for binding affinity against dopamine receptor D1 i... | 1680195 |
| D(2) dopamine receptor | IC50 | = | 2197.0 | nM | 5.66 | Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H... | 1680195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1680195 | 10.1021/jm00113a010 | Rattus norvegicus | 7 |
| 1680195 | 10.1021/jm00113a010 | D(1A) dopamine receptor | 2 |
| 1680195 | 10.1021/jm00113a010 | Unchecked | 2 |
| 1680195 | 10.1021/jm00113a010 | D(2) dopamine receptor | 1 |
| 1680195 | 10.1021/jm00113a010 | Mus musculus | 1 |
| 1680195 | 10.1021/jm00113a010 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine