Compound Detail
CHEMBL599612
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 | CHEMBL599612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAQQSLIUPHPLBK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.00
ALogP
4
HBA
0
HBD
29.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cel... | 20138771 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampus | 20138771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138771 | 10.1016/j.bmc.2010.01.035 | 5-hydroxytryptamine receptor 7 | 1 |
| 20138771 | 10.1016/j.bmc.2010.01.035 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine