Compound Detail
CHEMBL1087452
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Basic Information
| ChEMBL ID | CHEMBL1087452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSJIJDFJKQAXLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.21
ALogP
6
HBA
2
HBD
90.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.07 | 8.07 | 8.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.27 | 6.27 | 538.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 8.6 | nM | 8.07 | Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintill... | 20347298 |
| Sodium-dependent serotonin transporter | Ki | = | 538.0 | nM | 6.27 | Displacement of [3H]citalopram form human SRET by liquid scintillation counting | 20347298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20347298 | 10.1016/j.bmcl.2010.02.105 | D(2) dopamine receptor | 1 |
| 20347298 | 10.1016/j.bmcl.2010.02.105 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine