Compound Detail
CHEMBL253708
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Basic Information
| ChEMBL ID | CHEMBL253708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDQVCKQENSZRBU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
3.79
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Ki 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.91 | 7.91 | 12.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.21 | 6.21 | 615.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 12.3 | nM | 7.91 | Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HEK293 cell... | 18053713 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 615.0 | nM | 6.21 | Antagonist activity at human cloned 5HT6 receptor expressed in HeLa cells assess... | 18053713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053713 | 10.1016/j.bmcl.2007.11.045 | 5-hydroxytryptamine receptor 6 | 2 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | 5-hydroxytryptamine receptor 1A | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | 5-hydroxytryptamine receptor 2A | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | 5-hydroxytryptamine receptor 2C | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | 5-hydroxytryptamine receptor 7 | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | D(1A) dopamine receptor | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | D(2) dopamine receptor | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | D(3) dopamine receptor | 1 |
| 18053713 | 10.1016/j.bmcl.2007.11.045 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine