Compound Detail
CHEMBL137643
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Basic Information
| ChEMBL ID | CHEMBL137643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUXGHNDAHPGZBD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
1.75
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.53 | 6.53 | 298.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Serotonin 3 receptor (5HT3) CHEMBL2111333 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.15 | 4.15 | 71400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 298.0 | nM | 6.53 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes... | 8863806 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 4400.0 | nM | 5.36 | Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus... | 8863806 |
| Serotonin 3 receptor (5HT3) | IC50 | = | 10200.0 | nM | 4.99 | Displacement of [3H]-BRC 36694 from 5-hydroxytryptamine 3 receptor in NG108-15 c... | 8863806 |
| Unchecked | IC50 | = | 71400.0 | nM | 4.15 | Binding affinity to 5-hydroxytryptamine 2 receptor using calf frontal cortex, [3... | 8863806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863806 | 10.1021/jm950861w | 5-hydroxytryptamine receptor 1A | 1 |
| 8863806 | 10.1021/jm950861w | 5-hydroxytryptamine receptor 1B | 1 |
| 8863806 | 10.1021/jm950861w | Unchecked | 1 |
| 8863806 | 10.1021/jm950861w | Serotonin 3 receptor (5HT3) | 1 |
Data from ChEMBL 36 via Core Engine