Compound Detail
CHEMBL308123
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Basic Information
| ChEMBL ID | CHEMBL308123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEIKIDQXGHFLJU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.01
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat corti... | 2903929 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 64.0 | nM | 7.19 | Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat c... | 2903929 |
| D(2) dopamine receptor | IC50 | = | 680.0 | nM | 6.17 | Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal me... | 2903929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903929 | 10.1021/jm00120a003 | Rattus norvegicus | 7 |
| 6134833 | 10.1021/jm00361a002 | Rattus norvegicus | 2 |
| 2903929 | 10.1021/jm00120a003 | Mus musculus | 1 |
| 2903929 | 10.1021/jm00120a003 | Serotonin 2 (5-HT2) receptor | 1 |
| 2903929 | 10.1021/jm00120a003 | D(2) dopamine receptor | 1 |
| 2903929 | 10.1021/jm00120a003 | Adrenergic receptor alpha-1 | 1 |
| 6134833 | 10.1021/jm00361a002 | Mus musculus | 1 |
| 6134833 | 10.1021/jm00361a002 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine