Compound Detail
CHEMBL135047
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Basic Information
| ChEMBL ID | CHEMBL135047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAYSMURKORGEQD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.40
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 25.0 | nM | 7.6 | Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101. | 7473548 |
| Adrenergic receptor alpha-1 | Ki | = | 52.0 | nM | 7.28 | Binding affinity towards alpha-1 adrenergic receptor using [3H]prazosin as radio... | 7473548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473548 | 10.1021/jm00021a010 | Rattus norvegicus | 2 |
| 7473548 | 10.1021/jm00021a010 | D(2) dopamine receptor | 1 |
| 7473548 | 10.1021/jm00021a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 7473548 | 10.1021/jm00021a010 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine