Compound Detail
CHEMBL12427
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL12427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSNLZQMWBCDMGV-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.21
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.67 | 8.526 | 2.1 | 5 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.37 | 7.37 | 42.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 2.138 | nM | 8.67 | Binding affinity to 5HT7 receptor | 20022748 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.162 | nM | 8.5 | Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor was de... | 14667218 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.162 | nM | 8.5 | Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using ... | 10843226 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.311 | nM | 8.48 | Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalia... | 12014957 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.311 | nM | 8.48 | Compound was evaluated for its ability to displace [3H]5-CT binding from cloned ... | 10052959 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 42.66 | nM | 7.37 | In vitro binding affinity to 5-hydroxytryptamine 2 receptor of rat cerebral cort... | 12014957 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 42.66 | nM | 7.37 | 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 |
| 20022748 | 10.1016/j.bmcl.2009.12.027 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine