Compound Detail
CHEMBL108532
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 | CHEMBL108532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHTVRVDYYAMNRK-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.80
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.44
EC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.01 | 8.01 | 9.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.75 | 7.29 | 18.0 | 3 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.81 | 5.81 | 1547.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.36 | nM | 9.44 | Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determin... | 8759640 |
| D(2) dopamine receptor | EC50 | = | 9.8 | nM | 8.01 | Compound was evaluated for effective concentration in vivo for Dopamine receptor... | 8759640 |
| D(2) dopamine receptor | Ki | = | 18.0 | nM | 7.75 | Binding affinity against Dopamine receptor D2 in CHO-K1 cells using radioligand ... | 8759640 |
| D(2) dopamine receptor | Ki | = | 87.0 | nM | 7.06 | Compound was evaluated for their affinity against dopamine receptor D2 by displa... | 8759640 |
| D(2) dopamine receptor | Ki | = | 87.1 | nM | 7.06 | Binding affinity towards dopamine receptor D2 of rat striatal membrane was deter... | 15808487 |
| Adrenergic receptor alpha-1 | Ki | = | 107.0 | nM | 6.97 | Binding affinity against Alpha-1 adrenergic receptor using radioligand [3H]prazo... | 8759640 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1547.0 | nM | 5.81 | Binding affinity against serotonin 5-hydroxytryptamine 1A receptor using radioli... | 8759640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759640 | 10.1021/jm950721m | D(2) dopamine receptor | 4 |
| 8759640 | 10.1021/jm950721m | Rattus norvegicus | 3 |
| 8759640 | 10.1021/jm950721m | Mus musculus | 1 |
| 8759640 | 10.1021/jm950721m | D(3) dopamine receptor | 1 |
| 8759640 | 10.1021/jm950721m | 5-hydroxytryptamine receptor 1A | 1 |
| 8759640 | 10.1021/jm950721m | Adrenergic receptor alpha-1 | 1 |
| 8759640 | 10.1021/jm950721m | Monkey | 1 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine