Compound Detail
CHEMBL104380
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Basic Information
| ChEMBL ID | CHEMBL104380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYLLMRKBBYQUGB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.0
MW (Da)
3.20
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.01 | 6.01 | 979.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 13.0 | nM | 7.89 | Binding affinity towards human dopamine D4 receptor was determined via standard ... | 12372512 |
| Adrenergic receptor alpha-1 | Ki | = | 36.0 | nM | 7.44 | Binding affinity towards Alpha-1 adrenergic receptor via standard competitive di... | 12372512 |
| D(2) dopamine receptor | Ki | = | 979.0 | nM | 6.01 | Binding affinity towards human dopamine D2 receptor, using [3H]YM-09151 as a rad... | 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