Compound Detail
CHEMBL2325930
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Basic Information
| ChEMBL ID | CHEMBL2325930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPAXWXXUTHBWEX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
5.64
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK ... | 23218776 |
| D(2) dopamine receptor | Ki | = | 27.0 | nM | 7.57 | 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 | D(2) dopamine receptor | 2 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Unchecked | 1 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine