Compound Detail
CHEMBL404352
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Basic Information
| ChEMBL ID | CHEMBL404352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUALJDCOWOWPTA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
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
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.52 | 7.52 | 30.1 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 30.1 | nM | 7.52 | Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HEK293 cell... | 18053713 |
| D(1A) dopamine receptor | Ki | = | 1810.0 | nM | 5.74 | Displacement of [3H]SCH-23390 from human cloned dopamine D1 receptor | 18053713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053713 | 10.1016/j.bmcl.2007.11.045 | 5-hydroxytryptamine receptor 6 | 1 |
| 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