Compound Detail
CHEMBL91689
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Basic Information
| ChEMBL ID | CHEMBL91689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLKJSRWSKNCNBI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.84
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.69 | 6.69 | 203.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.51 | 5.51 | 3120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 203.0 | nM | 6.69 | Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A rec... | 8064802 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 3120.0 | nM | 5.51 | Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 2 rece... | 8064802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064802 | 10.1021/jm00043a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 8064802 | 10.1021/jm00043a014 | Serotonin 2 (5-HT2) receptor | 1 |
| 8064802 | 10.1021/jm00043a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine