Compound Detail
CHEMBL2164336
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 | CHEMBL2164336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJCDKKZASRZMHC-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
2.77
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.59
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.59 | 8.59 | 2.6 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.81 | 6.81 | 156.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 6.36 | 6.36 | 438.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.32 | 6.32 | 476.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 2.6 | nM | 8.59 | Displacement of [3H]-5-CT from human cloned 5HT7 receptor | 22738316 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 2.6 | nM | 8.59 | Binding affinity to 5-HT7 in rat brain | 23830697 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 2.6 | nM | 8.59 | Antagonist activity at 5-HT7 receptor (unknown origin) | 31581003 |
| Adrenergic receptor alpha-1 | Ki | = | 156.0 | nM | 6.81 | Displacement of [3H]prazoin from rat cerebral cortex adrenergic alpha1 receptor | 22738316 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 438.0 | nM | 6.36 | Antagonist activity at human 5HT7A receptor expressed in human HeLa cells assess... | 22738316 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 476.0 | nM | 6.32 | Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor | 22738316 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 476.0 | nM | 6.32 | Antagonist activity at 5-HT1A receptor (unknown origin) | 31581003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738316 | 10.1021/jm3003679 | 5-hydroxytryptamine receptor 7 | 8 |
| 23830697 | 10.1016/j.bmc.2013.06.020 | 5-hydroxytryptamine receptor 1A | 2 |
| 22738316 | 10.1021/jm3003679 | Adrenergic receptor alpha-1 | 1 |
| 22738316 | 10.1021/jm3003679 | 5-hydroxytryptamine receptor 1A | 1 |
| 23830697 | 10.1016/j.bmc.2013.06.020 | 5-hydroxytryptamine receptor 7 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 7 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine