Compound Detail
CHEMBL317433
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Basic Information
| ChEMBL ID | CHEMBL317433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVFLWMCCYDDTMA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.74
ALogP
5
HBA
2
HBD
69.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.2 | nM | 9.7 | Compound was evaluated for the binding affinity towards Dopamine receptor D2 fro... | 1323682 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.4 | nM | 9.4 | Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in ... | 1323682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1323682 | 10.1021/jm00094a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 1323682 | 10.1021/jm00094a021 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine