Compound Detail
CHEMBL328107
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Basic Information
| ChEMBL ID | CHEMBL328107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASNREPVWGRJPSG-HUUCEWRRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
255.4
MW (Da)
3.95
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 6.84 | 6.84 | 146.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.49 | 6.49 | 323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.9 | nM | 8.41 | Tested in vitro for the inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptami... | - |
| Serotonin 2 (5-HT2) receptor | Ki | = | 146.0 | nM | 6.84 | Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptam... | - |
| D(2) dopamine receptor | Ki | = | 150.0 | nM | 6.82 | Tested in vitro for the inhibition of [3H]raclopride binding to Dopamine recepto... | - |
| D(3) dopamine receptor | Ki | = | 323.0 | nM | 6.49 | Tested in vitro for the inhibition of [3H]U-86170 binding to Dopamine receptor D... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10068-3 | Rattus norvegicus | 6 |
| - | 10.1016/S0960-894X(97)10068-3 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(97)10068-3 | Serotonin 2 (5-HT2) receptor | 1 |
| - | 10.1016/S0960-894X(97)10068-3 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)10068-3 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)10068-3 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine