Compound Detail
CHEMBL273246
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Basic Information
| ChEMBL ID | CHEMBL273246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSFJLLMUNOWCNL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
4.08
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.42 | 8.41 | 3.8 | 4 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.98 | 6.98 | 104.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.802 | nM | 8.42 | Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalia... | 12014957 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.802 | nM | 8.42 | Compound was evaluated for its ability to displace [3H]5-CT binding from cloned ... | 10052959 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.981 | nM | 8.4 | Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor was de... | 14667218 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.981 | nM | 8.4 | Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using ... | 10843226 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 104.71 | nM | 6.98 | In vitro binding affinity to 5-hydroxytryptamine 2 receptor of rat cerebral cort... | 12014957 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 104.71 | nM | 6.98 | Compound was evaluated for its ability to displace [3H]ketanserin binding from c... | 10052959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667218 | 10.1021/jm030841r | 5-hydroxytryptamine receptor 7 | 1 |
| 12014957 | 10.1021/jm0104264 | 5-hydroxytryptamine receptor 7 | 1 |
| 12014957 | 10.1021/jm0104264 | Serotonin 2 (5-HT2) receptor | 1 |
| 10052959 | 10.1021/jm980519u | 5-hydroxytryptamine receptor 7 | 1 |
| 10052959 | 10.1021/jm980519u | Serotonin 2 (5-HT2) receptor | 1 |
| 10843226 | 10.1016/s0960-894x(00)00166-9 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine