Compound Detail
CHEMBL2325933
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Basic Information
| ChEMBL ID | CHEMBL2325933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VECJPOGHJKAQGZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.90
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK ... | 23218776 |
| D(2) dopamine receptor | Ki | = | 1100.0 | nM | 5.96 | Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO c... | 23218776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23218776 | 10.1016/j.bmc.2012.10.049 | Unchecked | 1 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | D(2) dopamine receptor | 1 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine