Compound Detail
CHEMBL26447
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL26447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPFDZEAPDWUCAQ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
1.64
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.85
Kd 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.87 | 7.87 | 13.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.85 | 6.6967 | 140.0 | 3 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.3 | 6.27 | 501.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 13.49 | nM | 7.87 | Antagonistic activity for Alpha-1 adrenergic receptor was measured as inhibition... | 15935663 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 140.0 | nM | 6.85 | Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... | 9022796 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 158.49 | nM | 6.8 | pKi value against rat 5-hydroxytryptamine 1A receptor. | 9022796 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 362.0 | nM | 6.44 | In vitro ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor ... | 7731013 |
| D(2) dopamine receptor | Ki | = | 501.19 | nM | 6.3 | pKi value against rat Dopamine receptor D2. | 9022796 |
| D(2) dopamine receptor | Ki | = | 570.0 | nM | 6.24 | In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in... | 9022796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022796 | 10.1021/jm960496o | 5-hydroxytryptamine receptor 1A | 2 |
| 9022796 | 10.1021/jm960496o | D(2) dopamine receptor | 2 |
| 7731013 | 10.1021/jm00008a005 | 5-hydroxytryptamine receptor 1A | 1 |
| 9022796 | 10.1021/jm960496o | No relevant target | 1 |
| 15935663 | 10.1016/j.bmcl.2005.05.003 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine