Compound Detail
CHEMBL3321798
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Basic Information
| ChEMBL ID | CHEMBL3321798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STLOWRIFEMHPHS-QTNQTPCRSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
4.42
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
IC50 1 meas. best 5.64
Ki 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mi... | 25073094 |
| 5-hydroxytryptamine receptor 7 | EC50 | = | 60.0 | nM | 7.22 | Agonist activity at human 5-HT7 expressed in HEK-293 cells assessed as increase ... | 25073094 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 2300.0 | nM | 5.64 | 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 | 5-hydroxytryptamine receptor 1A | 1 |
| 25073094 | 10.1021/jm500880c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine