Compound Detail
CHEMBL51977
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Basic Information
| ChEMBL ID | CHEMBL51977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSCIAWWFBYAELA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
475.1
MW (Da)
6.79
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.8 | 8.8 | 1.6 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.4 | 6.4 | 398.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 96.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 80.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.585 | nM | 8.8 | Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in... | 10021923 |
| D(3) dopamine receptor | Ki | = | 1.585 | nM | 8.8 | Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in... | - |
| D(2) dopamine receptor | Ki | = | 398.11 | nM | 6.4 | Displacement [125I]iodosulpiride from human Dopamine receptor D2 expressed in CH... | 10021923 |
| D(2) dopamine receptor | Ki | = | 398.11 | nM | 6.4 | Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00350-8 | D(3) dopamine receptor | 2 |
| 9873637 | 10.1016/s0960-894x(98)00512-5 | Rattus norvegicus | 1 |
| 10021923 | 10.1016/s0960-894x(98)00699-4 | D(3) dopamine receptor | 1 |
| 10021923 | 10.1016/s0960-894x(98)00699-4 | D(2) dopamine receptor | 1 |
| 10021923 | 10.1016/s0960-894x(98)00699-4 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(97)00350-8 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine