Compound Detail
CHEMBL106916
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Basic Information
| ChEMBL ID | CHEMBL106916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIFUZIJTCAAWNY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
3.44
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.27 | 7.145 | 5.4 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.05 | 7.365 | 9.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.58 | 5.58 | 2655.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 5.4 | nM | 8.27 | Binding affinity towards human Dopamine Receptor D4 was determined via standard ... | 12372512 |
| D(2) dopamine receptor | Ki | = | 9.0 | nM | 8.05 | Dopamine receptor D2 functional activity was assessed via inhibition of forskoli... | 12372512 |
| D(2) dopamine receptor | Ki | = | 209.0 | nM | 6.68 | Binding affinity towards human Dopamine receptor D2 was determined via standard ... | 12372512 |
| D(4) dopamine receptor | Ki | = | 960.0 | nM | 6.02 | Dopamine Receptor D4 functional activity was assessed via inhibition of quinpiro... | 12372512 |
| Adrenergic receptor alpha-1 | Ki | = | 2655.0 | nM | 5.58 | Binding affinity towards Alpha-1 adrenergic receptor via standard competitive di... | 12372512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372512 | 10.1016/s0960-894x(02)00655-8 | D(2) dopamine receptor | 2 |
| 12372512 | 10.1016/s0960-894x(02)00655-8 | D(4) dopamine receptor | 2 |
| 12372512 | 10.1016/s0960-894x(02)00655-8 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine