Compound Detail
CHEMBL440302
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Basic Information
| ChEMBL ID | CHEMBL440302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGKZRYQYMHFGRK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
2.92
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebr... | 6131130 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 80.0 | nM | 7.1 | Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonin ... | - |
| Dopamine receptor | IC50 | = | 430.0 | nM | 6.37 | Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striata... | 6131130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00081-9 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(96)00081-9 | Adrenergic receptor alpha-1 | 1 |
| 6131130 | 10.1021/jm00356a014 | Dopamine receptor | 1 |
| 6131130 | 10.1021/jm00356a014 | Rattus norvegicus | 1 |
| 6131130 | 10.1021/jm00356a014 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine