Compound Detail
CHEMBL597356
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Basic Information
| ChEMBL ID | CHEMBL597356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBZVFQICYGHZFW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
245.1
MW (Da)
1.78
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.04 | 6.04 | 902.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.65 | 5.65 | 2240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 902.0 | nM | 6.04 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampus | 20138771 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 2240.0 | nM | 5.65 | Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cel... | 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