Compound Detail
CHEMBL20748
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Basic Information
| ChEMBL ID | CHEMBL20748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAHDNXLTPLSBHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.9
MW (Da)
2.79
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.61 | 7.61 | 24.3 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 6.06 | 6.06 | 867.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 24.3 | nM | 7.61 | Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as rad... | 12593651 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 867.0 | nM | 6.06 | Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4... | 12593651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6120234 | 10.1021/jm00142a019 | Rattus norvegicus | 1 |
| 12593651 | 10.1021/jm020270n | Serotonin 3 (5-HT3) receptor | 1 |
| 12593651 | 10.1021/jm020270n | 5-hydroxytryptamine receptor 4 | 1 |
| 12593651 | 10.1021/jm020270n | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine