Compound Detail
CHEMBL104719
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Basic Information
| ChEMBL ID | CHEMBL104719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HELOJRWGEVUNRF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
4.41
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 7.0 | nM | 8.15 | Binding affinity towards human dopamine D4 receptor was determined via standard ... | 12372512 |
| D(2) dopamine receptor | Ki | = | 52.0 | nM | 7.28 | Binding affinity towards human dopamine D2 receptor, using [3H]YM-09151 as a rad... | 12372512 |
| Adrenergic receptor alpha-1 | Ki | = | 118.0 | nM | 6.93 | 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 | 1 |
| 12372512 | 10.1016/s0960-894x(02)00655-8 | D(4) dopamine receptor | 1 |
| 12372512 | 10.1016/s0960-894x(02)00655-8 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine