Compound Detail
CHEMBL12108
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Basic Information
| ChEMBL ID | CHEMBL12108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBGADVDRELNMHY-PWSUYJOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
1.77
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1000.0 | nM | 6.0 | Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocam... | 7731016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731016 | 10.1021/jm00008a008 | 5-hydroxytryptamine receptor 1A | 1 |
| 8097538 | 10.1021/jm00060a015 | 5-hydroxytryptamine receptor 1A | 1 |
| 8097538 | 10.1021/jm00060a015 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine