Compound Detail
CHEMBL93186
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Basic Information
| ChEMBL ID | CHEMBL93186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFZOPLQXSQRUHM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
4.41
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.21 | 8.21 | 6.1 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.79 | 7.79 | 16.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.1 | nM | 8.21 | Tested in vitro for the inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptami... | - |
| D(3) dopamine receptor | Ki | = | 16.2 | nM | 7.79 | Tested in vitro for the inhibition of [3H]U-86170 binding to Dopamine receptor D... | - |
| D(2) dopamine receptor | Ki | = | 32.0 | nM | 7.5 | Tested in vitro for the inhibition of [3H]raclopride binding to Dopamine recepto... | - |
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