Compound Detail
CHEMBL278044
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Basic Information
| ChEMBL ID | CHEMBL278044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNRHXEPDKXPRTM-ZDUSSCGKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
1.70
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 9.3 | nM | 8.03 | Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 wa... | 2889830 |
| Adrenergic receptor alpha-1 | Ki | = | 1100.0 | nM | 5.96 | Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determ... | 2889830 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 54000.0 | nM | 4.27 | Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor deter... | 2889830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2889830 | 10.1021/jm00394a028 | D(2) dopamine receptor | 2 |
| 2889830 | 10.1021/jm00394a028 | Mus musculus | 2 |
| 2889830 | 10.1021/jm00394a028 | Adrenergic receptor alpha-1 | 1 |
| 2889830 | 10.1021/jm00394a028 | Serotonin 2 (5-HT2) receptor | 1 |
| 2889830 | 10.1021/jm00394a028 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine