Compound Detail
CHEMBL68094
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Basic Information
| ChEMBL ID | CHEMBL68094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFVJSSWUYPHDQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
3.90
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.65 | 6.65 | 223.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 15.85 | nM | 7.8 | In vitro binding affinity to 5-hydroxytryptamine 2 receptor of rat cerebral cort... | 12014957 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 223.87 | nM | 6.65 | Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalia... | 12014957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 7 | 1 |
| 12014957 | 10.1021/jm0104264 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine