Compound Detail
CHEMBL194248
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Basic Information
| ChEMBL ID | CHEMBL194248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRHHDPLEPUUZIZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
3.12
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.1
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 8.1 | 8.1 | 7.9 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 7.9 | nM | 8.1 | Concentration to stimulate the cAMP production in BHK cells | 16055331 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 90.0 | nM | 7.05 | Displacement of [3H]LSD binding to cloned h5-HT6 receptors stably expressed in H... | 16055331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 6 | 2 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine