Compound Detail
CHEMBL137536
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Basic Information
| ChEMBL ID | CHEMBL137536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEBKQEVGPRNSGI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.57
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 3.8 | nM | 8.42 | Binding affinity for dopamine receptor D1, activity is expressed as IC50 values. | 7473566 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 9.8 | nM | 8.01 | Binding affinity for 5-hydroxytryptamine 2A receptor, activity is expressed as I... | 7473566 |
| Adrenergic receptor alpha-1 | IC50 | = | 15.0 | nM | 7.82 | Binding affinity against Alpha-1 adrenergic receptor, activity is expressed as I... | 7473566 |
| D(2) dopamine receptor | IC50 | = | 74.0 | nM | 7.13 | 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