Compound Detail
CHEMBL135530
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Basic Information
| ChEMBL ID | CHEMBL135530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CICRTVAOKJIVPR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.5
MW (Da)
5.31
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.45 | 6.45 | 357.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 3.9 | nM | 8.41 | Binding affinity was tested on Alpha-1 adrenergic receptor using radioligand [3H... | 8863803 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 357.0 | nM | 6.45 | Binding affinity was tested on 5-hydroxytryptamine 1A receptor using radioligand... | 8863803 |
| Glutamate NMDA receptor | Ki | = | 2600.0 | nM | 5.58 | Binding affinity was tested on Phencyclidine binding assay. | 8863803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863803 | 10.1021/jm9508898 | Adrenergic receptor alpha-1 | 1 |
| 8863803 | 10.1021/jm9508898 | 5-hydroxytryptamine receptor 1A | 1 |
| 8863803 | 10.1021/jm9508898 | Glutamate NMDA receptor | 1 |
| 8863803 | 10.1021/jm9508898 | D(2) dopamine receptor | 1 |
| 8863803 | 10.1021/jm9508898 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine