Compound Detail
CHEMBL3325913
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Basic Information
| ChEMBL ID | CHEMBL3325913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRKUMRQQBHRFLD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
4.99
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.79 | 6.79 | 163.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 163.0 | nM | 6.79 | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cel... | 25076379 |
| D(1A) dopamine receptor | Ki | = | 216.0 | nM | 6.67 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... | 25076379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25076379 | 10.1016/j.ejmech.2014.07.059 | D(1A) dopamine receptor | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | D(2) dopamine receptor | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | D(3) dopamine receptor | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | 5-hydroxytryptamine receptor 1A | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine