Compound Detail
CHEMBL343078
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Basic Information
| ChEMBL ID | CHEMBL343078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOLDFBZXQLCLJB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
5.45
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 1.5 | nM | 8.82 | Binding affinity for dopamine receptor D1, activity is expressed as IC50 values. | 7473566 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 4.5 | nM | 8.35 | Binding affinity for 5-hydroxytryptamine 2A receptor, activity is expressed as I... | 7473566 |
| D(2) dopamine receptor | IC50 | = | 5.7 | nM | 8.24 | Binding affinity against dopamine receptor D2 | 7473566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473566 | 10.1021/jm00022a004 | D(1A) dopamine receptor | 2 |
| 7473566 | 10.1021/jm00022a004 | D(2) dopamine receptor | 2 |
| 7473566 | 10.1021/jm00022a004 | Dopamine receptors; D1 & D2 | 2 |
| 7473566 | 10.1021/jm00022a004 | 5-hydroxytryptamine receptor 2A | 1 |
| 7473566 | 10.1021/jm00022a004 | Adrenergic receptor alpha-1 | 1 |
| 7473566 | 10.1021/jm00022a004 | Mus musculus | 1 |
| 7473566 | 10.1021/jm00022a004 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine