Compound Detail
CHEMBL20167
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Basic Information
| ChEMBL ID | CHEMBL20167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQSFTUCFMWBITK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
2.58
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 6.29 | 6.29 | 512.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 512.86 | nM | 6.29 | Compound was evaluated for binding affinity towards 5-hydroxytryptamine receptor... | 6779006 |
| Serotonin (5-HT) receptor | Kd | = | 512.86 | nM | 6.29 | Competitive antagonist activity at 5-HT serotonin receptor in Sprague-Dawley rat... | 278843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6779006 | 10.1021/jm00185a014 | Serotonin (5-HT) receptor | 1 |
| 278843 | 10.1021/jm00206a022 | Serotonin (5-HT) receptor | 1 |
Data from ChEMBL 36 via Core Engine