Compound Detail
CHEMBL435029
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Basic Information
| ChEMBL ID | CHEMBL435029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGOXUQUWFDSTAA-NRFANRHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
3.41
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 89.0 | nM | 7.05 | In vitro inhibition of [3H]8-OH-DPAT binding to rat 5-HT 1a receptors. | 9986719 |
| Adrenergic receptor alpha-1 | IC50 | = | 240.0 | nM | 6.62 | In vitro inhibition of [3H]prazosin binding to rat alpha-1 adrenergic receptors. | 9986719 |
| D(2) dopamine receptor | IC50 | = | 2600.0 | nM | 5.58 | In vitro inhibition of [3H]spiroperidol binding to rat Dopamine D2 receptors. | 9986719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986719 | 10.1021/jm980420n | Unchecked | 2 |
| 9986719 | 10.1021/jm980420n | 5-hydroxytryptamine receptor 1A | 1 |
| 9986719 | 10.1021/jm980420n | D(2) dopamine receptor | 1 |
| 9986719 | 10.1021/jm980420n | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine