Compound Detail
CHEMBL333085
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Basic Information
| ChEMBL ID | CHEMBL333085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEQQCMUWPDWHHF-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
5.11
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.57 | 7.57 | 26.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.88 | 5.88 | 1330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 26.9 | nM | 7.57 | In vitro displacement of [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytrypt... | 8784448 |
| D(2) dopamine receptor | Ki | = | 1330.0 | nM | 5.88 | Displacement of [3H]-raclopride fromd human Dopamine receptor D2A expressed in L... | 8784448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784448 | 10.1021/jm960189i | 5-hydroxytryptamine receptor 1A | 1 |
| 8784448 | 10.1021/jm960189i | D(1A) dopamine receptor | 1 |
| 8784448 | 10.1021/jm960189i | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine