Compound Detail
CHEMBL154989
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Basic Information
| ChEMBL ID | CHEMBL154989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHTGEMLTFUDITR-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
3.91
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.09 | 6.09 | 818.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.59 | 5.59 | 2579.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 818.0 | nM | 6.09 | In vitro binding affinity towards rat Dopamine receptor D1 by [3H]SCH-23390 disp... | 2405158 |
| D(2) dopamine receptor | IC50 | = | 2579.0 | nM | 5.59 | In vitro binding affinity towards rat Dopamine receptor D2 by [3H]spiperone disp... | 2405158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2405158 | 10.1021/jm00164a022 | Rattus norvegicus | 3 |
| 2405158 | 10.1021/jm00164a022 | D(1A) dopamine receptor | 1 |
| 2405158 | 10.1021/jm00164a022 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine