Compound Detail
CHEMBL332459
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Basic Information
| ChEMBL ID | CHEMBL332459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXKMBRFFMFOJNN-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
1.66
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.08 | 5.8775 | 84.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 84.0 | nM | 7.08 | Inhibitory concentration for half-maximal displacement of 1.0 nM [3H]ADTN specif... | 7200145 |
| Dopamine receptor | IC50 | = | 610.0 | nM | 6.21 | Inhibitory concentration half-maximal displacement of 1.0 nM [3H]NPA specific bi... | 7200145 |
| Dopamine receptor | IC50 | = | 7500.0 | nM | 5.12 | Inhibitory concentration for half-maximal displacement of 1.0 nM [3H]ADTN specif... | 7200145 |
| Dopamine receptor | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory concentration half-maximal displacement of 1.0 nM [3H]NPA specific bi... | 7200145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7200145 | 10.1021/jm00346a007 | Dopamine receptor | 4 |
Data from ChEMBL 36 via Core Engine