Compound Detail
CHEMBL280137
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Basic Information
| ChEMBL ID | CHEMBL280137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUKJBNUKLLGULS-UKRRQHHQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
245.4
MW (Da)
3.21
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.18 | 7.18 | 66.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 63.0 | nM | 7.2 | Binding affinity against [3H]raclopride-labeled dopamine receptor D2 in rat stri... | 8097537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 66.0 | nM | 7.18 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8097537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 66.0 | nM | 7.18 | Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocam... | 7731016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097537 | 10.1021/jm00060a014 | Mus musculus | 14 |
| 8097537 | 10.1021/jm00060a014 | D(2) dopamine receptor | 2 |
| 8097537 | 10.1021/jm00060a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 7731016 | 10.1021/jm00008a008 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine