Compound Detail
CHEMBL268921
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Basic Information
| ChEMBL ID | CHEMBL268921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJFKVFYLGTWIJL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
3.43
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.27 | 8.27 | 5.4 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.0 | 6.9967 | 100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 5.37 | nM | 8.27 | Compound was evaluated for its ability to displace [3H]ketanserin binding from c... | 10052959 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 100.0 | nM | 7.0 | Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor was de... | 14667218 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 100.0 | nM | 7.0 | Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using ... | 10843226 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 102.33 | nM | 6.99 | Compound was evaluated for its ability to displace [3H]5-CT binding from cloned ... | 10052959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667218 | 10.1021/jm030841r | 5-hydroxytryptamine receptor 7 | 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