Compound Detail
CHEMBL186558
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Basic Information
| ChEMBL ID | CHEMBL186558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJEJCAOIJWQBMJ-HXUWFJFHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.42
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 24.0 | nM | 7.62 | Ability to displace [3H]spiperone from human Dopamine receptor D4.2 stably trans... | 15341937 |
| Adrenergic receptor alpha-1 | Ki | = | 330.0 | nM | 6.48 | Binding affinity towards Alpha-1 adrenergic receptor using 7-methoxy-[3H]-prazos... | 15341937 |
| D(2) dopamine receptor | Ki | = | 1500.0 | nM | 5.82 | Ability to displace [3H]spiperone from human Dopamine receptor D2S stably transf... | 15341937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341937 | 10.1016/j.bmcl.2004.07.045 | D(4) dopamine receptor | 1 |
| 15341937 | 10.1016/j.bmcl.2004.07.045 | D(2) dopamine receptor | 1 |
| 15341937 | 10.1016/j.bmcl.2004.07.045 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine