Compound Detail
CHEMBL253096
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Basic Information
| ChEMBL ID | CHEMBL253096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QASCBWTWFDWZJI-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
5.67
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.08 | 7.08 | 82.4 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 82.4 | nM | 7.08 | Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HEK293 cell... | 18053713 |
| D(1A) dopamine receptor | Ki | = | 120.0 | nM | 6.92 | Displacement of [3H]SCH-23390 from human cloned dopamine D1 receptor | 18053713 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 170.0 | nM | 6.77 | Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor | 18053713 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 600.0 | nM | 6.22 | Displacement of [3H]LSD from human cloned 5HT7 receptor | 18053713 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 720.0 | nM | 6.14 | Displacement of [3H]ketanserin from human cloned 5HT2A 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