Compound Detail
CHEMBL494661
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Basic Information
| ChEMBL ID | CHEMBL494661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVGOJMPFDKELFD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.7
MW (Da)
4.15
ALogP
6
HBA
1
HBD
79.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.11 | 8.11 | 7.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 7.8 | nM | 8.11 | Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor express... | 18800769 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK2... | 18800769 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 76.0 | nM | 7.12 | Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells | 18800769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800769 | 10.1021/jm800615e | 5-hydroxytryptamine receptor 7 | 1 |
| 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