Compound Detail
CHEMBL110032
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Basic Information
| ChEMBL ID | CHEMBL110032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIDRMPPLCHQZHE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
5.25
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.75
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 5.63 | 5.63 | 2330.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2330.0 | nM | 5.63 | Displacement of the radioligand [3H]spiperone from D2 receptor | 7932553 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 8800.0 | nM | 5.06 | Displacement of the radioligand [3H]8-OH-DPAT from 5-hydroxytryptamine 1A recept... | 7932553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932553 | 10.1021/jm00046a010 | Rattus norvegicus | 7 |
| 7932553 | 10.1021/jm00046a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 7932553 | 10.1021/jm00046a010 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine