Compound Detail
CHEMBL105512
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Basic Information
| ChEMBL ID | CHEMBL105512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABRFKTAFRQVZBR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.4
MW (Da)
2.70
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.24 | 6.785 | 57.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.9 | nM | 8.72 | In vitro binding affinity is the ability to displace [3H]spiperone from human Do... | 7636875 |
| D(2) dopamine receptor | Ki | = | 57.0 | nM | 7.24 | In vitro binding affinity is the ability to displace [3H]N-0437 from human Dopam... | 7636875 |
| D(2) dopamine receptor | Ki | = | 462.0 | nM | 6.33 | In vitro binding affinity is the ability to displace [3H]spiperone from human Do... | 7636875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636875 | 10.1021/jm00016a016 | D(2) dopamine receptor | 2 |
| 7636875 | 10.1021/jm00016a016 | D(3) dopamine receptor | 1 |
| 7636875 | 10.1021/jm00016a016 | Rattus norvegicus | 1 |
| 7636875 | 10.1021/jm00016a016 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine