Compound Detail
CHEMBL143744
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Basic Information
| ChEMBL ID | CHEMBL143744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVYABMSSBXSXFF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
5.26
ALogP
5
HBA
0
HBD
33.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.46 | 7.46 | 34.7 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.25 | 7.25 | 56.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 6.77 | 6.77 | 171.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 34.7 | nM | 7.46 | In vitro binding affinity for Dopamine D2 receptor of rat using [3H]YM-09151 as ... | 12361392 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 56.9 | nM | 7.25 | In vitro binding affinity for serotonin 5-hydroxytryptamine 1A receptor fof rat ... | 12361392 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 171.5 | nM | 6.77 | In vitro binding affinity for serotonin 5-hydroxytryptamine 2A receptor of rat c... | 12361392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361392 | 10.1021/jm020848t | D(2) dopamine receptor | 1 |
| 12361392 | 10.1021/jm020848t | 5-hydroxytryptamine receptor 1A | 1 |
| 12361392 | 10.1021/jm020848t | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine