Compound Detail
CHEMBL3976061
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Basic Information
| ChEMBL ID | CHEMBL3976061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXFPGCRBHMXTFS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.34
ALogP
6
HBA
2
HBD
73.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.3 | nM | 8.64 | Dopamine D2 Receptor Binding Assay: The assay was performed according to the met... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.0 | nM | 8.52 | Serotonin 5-HT2A Receptor Binding Assay: The assay was performed according to th... | - |
Data from ChEMBL 36 via Core Engine