Compound Detail
CHEMBL345220
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Basic Information
| ChEMBL ID | CHEMBL345220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXJMOFREJPLYOW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.9
MW (Da)
3.38
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 25.0 | nM | 7.6 | Binding affinity against dopamine D2 receptor in rat brain synaptic membrane usi... | 9871571 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 50.0 | nM | 7.3 | Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane... | 9871571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871571 | 10.1016/s0960-894x(98)00078-x | Serotonin 3 (5-HT3) receptor | 1 |
| 9871571 | 10.1016/s0960-894x(98)00078-x | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine