Compound Detail
CHEMBL407489
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Basic Information
| ChEMBL ID | CHEMBL407489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDKUSZZMIFQVPN-JTQLQIEISA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
2.39
ALogP
4
HBA
3
HBD
52.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.54 | 6.54 | 285.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 120.0 | nM | 6.92 | Displacement of [3H]- #NAME? from binding Dopamine receptor D1 in rat striatum | 1971308 |
| D(2) dopamine receptor | IC50 | = | 285.0 | nM | 6.54 | Displacement of [3H]- -spiperone from Dopamine receptor D2 in rat striatum | 1971308 |
| D(1A) dopamine receptor | EC50 | = | 700.0 | nM | 6.16 | Effective concentration was determined for the adenylate cyclase activity in rat... | 8568818 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Stimulation of Adenylate cyclase from rat striatal membranes | 1971308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1971308 | 10.1021/jm00168a034 | Unchecked | 2 |
| 8568818 | 10.1021/jm9502100 | D(1A) dopamine receptor | 2 |
| 1971308 | 10.1021/jm00168a034 | D(1A) dopamine receptor | 1 |
| 1971308 | 10.1021/jm00168a034 | D(2) dopamine receptor | 1 |
| 8568818 | 10.1021/jm9502100 | D(2) dopamine receptor | 1 |
| 8568818 | 10.1021/jm9502100 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine