Compound Detail
CHEMBL82541
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Basic Information
| ChEMBL ID | CHEMBL82541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUMWVMTWESCBLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
2.89
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.34 | 6.34 | 453.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.2 | 6.2 | 625.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 453.0 | nM | 6.34 | Binding affinity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A recepto... | - |
| D(2) dopamine receptor | Ki | = | 625.0 | nM | 6.2 | Binding affinity against [3H]U-86170 binding to Dopamine receptor D2 expressed i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00618-X | Rattus norvegicus | 7 |
| - | 10.1016/S0960-894X(96)00618-X | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(96)00618-X | Serotonin 2 (5-HT2) receptor | 1 |
| - | 10.1016/S0960-894X(96)00618-X | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00618-X | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00618-X | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine