Compound Detail
CHEMBL3321794
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Basic Information
| ChEMBL ID | CHEMBL3321794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTJGIOBVCNIDTE-OWOJBTEDSA-N |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
3.97
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.15
EC50 1 meas. best 6.64
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 9.15 | 9.15 | 0.7 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mi... | 25073094 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.7 | nM | 9.15 | Antagonist activity at 5-HT7 receptor (unknown origin) | 31581003 |
| 5-hydroxytryptamine receptor 7 | EC50 | = | 230.0 | nM | 6.64 | Agonist activity at human 5-HT7 expressed in HEK-293 cells assessed as increase ... | 25073094 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 2200.0 | nM | 5.66 | Antagonist activity at human 5-HT7 expressed in HEK-293 cells assessed as inhibi... | 25073094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25073094 | 10.1021/jm500880c | 5-hydroxytryptamine receptor 7 | 6 |
| 25073094 | 10.1021/jm500880c | Mus musculus | 5 |
| 25073094 | 10.1021/jm500880c | 5-hydroxytryptamine receptor 2A | 2 |
| 25073094 | 10.1021/jm500880c | 5-hydroxytryptamine receptor 1A | 1 |
| 25073094 | 10.1021/jm500880c | Unchecked | 1 |
| 25073094 | 10.1021/jm500880c | Sodium-dependent serotonin transporter | 1 |
| 25073094 | 10.1021/jm500880c | 5-hydroxytryptamine receptor 1B | 1 |
| 25073094 | 10.1021/jm500880c | Melatonin receptor | 1 |
| 25073094 | 10.1021/jm500880c | Corticotropin-releasing factor receptor 1 | 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