Compound Detail
CHEMBL347959
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Basic Information
| ChEMBL ID | CHEMBL347959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKNZUUWFOPEUNZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.21
ALogP
5
HBA
2
HBD
52.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.88 | 6.88 | 132.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.29 | 6.29 | 510.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.59 | 5.59 | 2596.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 18.0 | nM | 7.75 | In vitro binding affinity at Alpha-1 adrenergic receptor in rat cortical tissues | 12408724 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 132.0 | nM | 6.88 | In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical mem... | 12408724 |
| D(4) dopamine receptor | Ki | = | 510.0 | nM | 6.29 | In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 ... | 12408724 |
| D(2) dopamine receptor | Ki | = | 2596.0 | nM | 5.59 | In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9... | 12408724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408724 | 10.1021/jm0104825 | D(4) dopamine receptor | 1 |
| 12408724 | 10.1021/jm0104825 | D(2) dopamine receptor | 1 |
| 12408724 | 10.1021/jm0104825 | 5-hydroxytryptamine receptor 2A | 1 |
| 12408724 | 10.1021/jm0104825 | Adrenergic receptor alpha-1 | 1 |
| 12408724 | 10.1021/jm0104825 | Dopamine receptors; D2 & D4 | 1 |
| 12408724 | 10.1021/jm0104825 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine