Compound Detail
CHEMBL105646
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Basic Information
| ChEMBL ID | CHEMBL105646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHSWGNCHNWRXBG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.8
MW (Da)
3.12
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor | IC50 | = | 5000.0 | nM | 5.3 | Compound was evaluated for the inhibition of [3H]5-HT (concentration of 12 nM) s... | 1354263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1354263 | 10.1021/jm00094a019 | Serotonin 1 (5-HT1) receptor | 1 |
| 1354263 | 10.1021/jm00094a019 | D(2) dopamine receptor | 1 |
| 17976986 | 10.1016/j.bmcl.2007.10.059 | D(2) dopamine receptor | 1 |
| 17976986 | 10.1016/j.bmcl.2007.10.059 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine