Compound Detail
CHEMBL194305
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Basic Information
| ChEMBL ID | CHEMBL194305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQZWLJUKYOXRPN-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.86
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
EC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 8.24 | 8.24 | 5.8 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 5.8 | nM | 8.24 | Concentration to stimulate the cAMP production in BHK cells | 16055331 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 80.0 | nM | 7.1 | Displacement of [3H]LSD binding to cloned human 5-hydroxytryptamine 6 receptor e... | 16055331 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 80.0 | nM | 7.1 | Inhibitory activity against 5-hydroxytryptamine 6 receptor in human | 16055331 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 310.0 | nM | 6.51 | Inhibitory activity against 5-hydroxytryptamine 1B receptor in rat | 16055331 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 430.0 | nM | 6.37 | Inhibitory activity against 5-hydroxytryptamine 1A receptor in rat | 16055331 |
| 5-hydroxytryptamine receptor 4 | IC50 | = | 9800.0 | nM | 5.01 | Inhibitory activity against 5-hydroxytryptamine 4 receptor in guinea pig | 16055331 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 9800.0 | nM | 5.01 | Inhibitory activity against 5-hydroxytryptamine 7 receptor in human | 16055331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 6 | 3 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 4 | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 7 | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | ADMET | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 1A | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 1B | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 1D | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 2A | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 2C | 1 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine