Compound Detail
CHEMBL433002
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Basic Information
| ChEMBL ID | CHEMBL433002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIWLJQPOPQOPKB-KBXCAEBGSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.97
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.57 | 7.57 | 27.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 27.0 | nM | 7.57 | Tested in vitro for the inhibition of [3H]U-86170 binding to Dopamine receptor D... | - |
| D(3) dopamine receptor | Ki | = | 27.0 | nM | 7.57 | Compound was measured for its ability to compete with [3H]spiperone binding to t... | 14521403 |
| D(2) dopamine receptor | Ki | = | 46.0 | nM | 7.34 | Tested in vitro for the inhibition of [3H]raclopride binding to Dopamine recepto... | - |
| D(4) dopamine receptor | Ki | = | 55.0 | nM | 7.26 | Tested in vitro for the inhibition of [3H]spiperone binding to Dopamine receptor... | - |
| Serotonin 2 (5-HT2) receptor | Ki | = | 70.0 | nM | 7.16 | Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptam... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 120.0 | nM | 6.92 | Tested in vitro for the inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptami... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10068-3 | Rattus norvegicus | 3 |
| - | 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 |
| 14521403 | 10.1021/jm030085p | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine