Compound Detail
CHEMBL494709
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Basic Information
| ChEMBL ID | CHEMBL494709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIZPYDSXCAUQAK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
4.75
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.01
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 9.01 | 9.01 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.73 | 6.73 | 185.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL5494 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.98 | nM | 9.01 | Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells | 18800769 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 70.0 | nM | 7.16 | Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK2... | 18800769 |
| D(2) dopamine receptor | Ki | = | 185.0 | nM | 6.73 | Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor express... | 18800769 |
| 5-hydroxytryptamine receptor 7 | EC50 | = | 310.0 | nM | 6.51 | Agonist activity at 5HT7 receptor assessed as relaxation of substance P-induced ... | 18800769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800769 | 10.1021/jm800615e | 5-hydroxytryptamine receptor 7 | 3 |
| 18800769 | 10.1021/jm800615e | Unchecked | 2 |
| 18800769 | 10.1021/jm800615e | 5-hydroxytryptamine receptor 1A | 1 |
| 18800769 | 10.1021/jm800615e | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine