Compound Detail
CHEMBL329228
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Basic Information
| ChEMBL ID | CHEMBL329228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDXQQYQLOMGASY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.9
MW (Da)
3.50
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.55 | 6.55 | 282.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.52 | 6.52 | 303.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.07 | 6.07 | 859.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 42.0 | nM | 7.38 | In vitro binding affinity at human Dopamine receptor D4.4 by [3H]YM-09151-2 disp... | 10649982 |
| D(2) dopamine receptor | Ki | = | 282.0 | nM | 6.55 | In vitro binding affinity at human Dopamine receptor D2 (long) by [3H]spiroperid... | 10649982 |
| Adrenergic receptor alpha-1 | Ki | = | 303.0 | nM | 6.52 | In vitro binding affinity towards alpha-1 adrenergic receptor by using [3H]prazo... | 10649982 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 859.0 | nM | 6.07 | In vitro binding affinity at 5-hydroxytryptamine receptor 1A receptor in rat hip... | 10649982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649982 | 10.1021/jm991138z | D(4) dopamine receptor | 1 |
| 10649982 | 10.1021/jm991138z | D(2) dopamine receptor | 1 |
| 10649982 | 10.1021/jm991138z | 5-hydroxytryptamine receptor 1A | 1 |
| 10649982 | 10.1021/jm991138z | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine