Compound Detail
CHEMBL182071
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Basic Information
| ChEMBL ID | CHEMBL182071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBZYCPZRCDIPCI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.28
ALogP
5
HBA
2
HBD
59.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.0 | nM | 9.0 | Binding affinity against 5-Hydroxy tryptamine 7 receptor | 15261280 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 40.0 | nM | 7.4 | Binding affinity against 5-Hydroxy tryptamine 2C receptor | 15261280 |
| Adrenergic receptor alpha-1 | Ki | = | 57.0 | nM | 7.24 | Binding affinity against Alpha1 adrenergic receptor | 15261280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261280 | 10.1016/j.bmcl.2004.06.007 | 5-hydroxytryptamine receptor 7 | 1 |
| 15261280 | 10.1016/j.bmcl.2004.06.007 | D(2) dopamine receptor | 1 |
| 15261280 | 10.1016/j.bmcl.2004.06.007 | Adrenergic receptor alpha-1 | 1 |
| 15261280 | 10.1016/j.bmcl.2004.06.007 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine