Compound Detail
CHEMBL105013
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Basic Information
| ChEMBL ID | CHEMBL105013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSBWGXQXCRYYTG-CTNGQTDRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.89 | 6.515 | 130.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 130.0 | nM | 6.89 | Inhibition of [3H]-dopamine uptake in rat brain synaptosomes | 2892932 |
| D(2) dopamine receptor | IC50 | = | 590.0 | nM | 6.23 | Binding affinity against Dopamine receptor D2 using [3H]spiroperidol | 2892932 |
| Rattus norvegicus | IC50 | = | 730.0 | nM | 6.14 | Inhibition of [3H]norepinephrine uptake in rat brain synaptosomes | 2892932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2892932 | 10.1021/jm00397a006 | Rattus norvegicus | 2 |
| 2892932 | 10.1021/jm00397a006 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine