Compound Detail
CHEMBL343569
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Basic Information
| ChEMBL ID | CHEMBL343569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICPHJSKVAZMKIV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.32
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.31 | 6.31 | 491.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 491.0 | nM | 6.31 | Relative affinity for Dopamine receptor D1 in striatum using [3H]SCH-23390 | 9804688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804688 | 10.1021/jm980156y | Sodium-dependent dopamine transporter | 1 |
| 9804688 | 10.1021/jm980156y | Sodium-dependent serotonin transporter | 1 |
| 9804688 | 10.1021/jm980156y | D(1A) dopamine receptor | 1 |
| 9804688 | 10.1021/jm980156y | D(2) dopamine receptor | 1 |
| 9804688 | 10.1021/jm980156y | D(3) dopamine receptor | 1 |
| 9804688 | 10.1021/jm980156y | Mu-type opioid receptor | 1 |
| 9804688 | 10.1021/jm980156y | Kappa-type opioid receptor | 1 |
| 9804688 | 10.1021/jm980156y | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine