Compound Detail
CHEMBL112735
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Basic Information
| ChEMBL ID | CHEMBL112735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFUHQLOJRVHHKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
4.51
ALogP
5
HBA
1
HBD
71.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.6 | 9.6 | 0.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.2512 | nM | 9.6 | Binding affinity, displacement of [125I]iodosulpiride from human Dopamine recept... | - |
| D(2) dopamine receptor | Ki | = | 1.995 | nM | 8.7 | Binding affinity, displacement of [125I]iodosulpiride from human Dopamine recept... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00621-X | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00621-X | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00621-X | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine