Compound Detail
CHEMBL351963
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Basic Information
| ChEMBL ID | CHEMBL351963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKKGUQYWMBPDPR-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.02
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.4 | 8.4 | 4.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.68 | 6.68 | 209.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.87 | 5.87 | 1361.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4.0 | nM | 8.4 | Displacement of [3H]-YM 09151 from D4 receptor | 12639562 |
| D(4) dopamine receptor | Ki | = | 4.0 | nM | 8.4 | Binding affinity to D4R (unknown origin) assessed as inhibition constant | 33422983 |
| D(2) dopamine receptor | Ki | = | 209.0 | nM | 6.68 | Displacement of [3H]-YM 09151 from D2 receptor | 12639562 |
| D(2) dopamine receptor | Ki | = | 209.0 | nM | 6.68 | Binding affinity to D2R (unknown origin) assessed as inhibition constant | 33422983 |
| Adrenergic receptor alpha-1 | Ki | = | 1361.0 | nM | 5.87 | Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homog... | 12639562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639562 | 10.1016/s0960-894x(02)01056-9 | D(2) dopamine receptor | 1 |
| 12639562 | 10.1016/s0960-894x(02)01056-9 | D(4) dopamine receptor | 1 |
| 12639562 | 10.1016/s0960-894x(02)01056-9 | Adrenergic receptor alpha-1 | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(2) dopamine receptor | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine