Compound Detail
CHEMBL161811
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Basic Information
| ChEMBL ID | CHEMBL161811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUVDWLPPMXZXRR-XJKSGUPXSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.46
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.92 | 6.92 | 121.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.26 | 6.26 | 546.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 9.4 | % | Rattus norvegicus |
| T1/2 | 6.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 40.0 | nM | 7.4 | Binding affinity was measured at cloned mammalian dopamine D3 receptor expressed... | - |
| D(4) dopamine receptor | Ki | = | 121.0 | nM | 6.92 | Binding affinity was measured at cloned mammalian dopamine D4 receptor expressed... | - |
| D(2) dopamine receptor | Ki | = | 546.0 | nM | 6.26 | Binding affinity was measured at cloned mammalian dopamine D2 receptor expressed... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80181-5 | Rattus norvegicus | 7 |
| - | 10.1016/S0960-894X(01)80181-5 | 5-hydroxytryptamine receptor 5A | 1 |
| - | 10.1016/S0960-894X(01)80181-5 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(01)80181-5 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(01)80181-5 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine