Compound Detail
CHEMBL122100
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Basic Information
| ChEMBL ID | CHEMBL122100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIMSWAKIMHSXNK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
3.91
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.84 | 6.84 | 145.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.34 | 6.34 | 454.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 145.0 | nM | 6.84 | In vitro affinity for rat striatal Dopamine receptor D2 labeled with [3H]spipero... | 2869146 |
| Adrenergic receptor alpha-1 | IC50 | = | 454.0 | nM | 6.34 | In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-... | 2869146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2869146 | 10.1021/jm00153a010 | D(2) dopamine receptor | 1 |
| 2869146 | 10.1021/jm00153a010 | Adrenergic receptor alpha-1 | 1 |
| 2869146 | 10.1021/jm00153a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine