Compound Detail
CHEMBL35711
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Basic Information
| ChEMBL ID | CHEMBL35711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOTXRBRECFGWCR-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.39
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.12
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.42 | 7.085 | 38.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2096671 | Ki | 7.12 | 7.12 | 76.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.11 | 6.11 | 769.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 38.0 | nM | 7.42 | Binding affinity against sigma sites in guinea pig membrane using [3H]DTG as the... | 8426363 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 76.6 | nM | 7.12 | Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synapt... | 8496917 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 178.0 | nM | 6.75 | Binding affinity against sigma sites in guinea pig membrane using [3H](+)-3-PPP ... | 8426363 |
| D(2) dopamine receptor | Ki | = | 769.0 | nM | 6.11 | Binding affinity against dopamine receptor D2 from rat corpus striatum by using ... | 8496917 |
| D(2) dopamine receptor | Ki | = | 769.0 | nM | 6.11 | Binding affinity against D2 receptor in rat corpus striatum using [3H]sulpiride ... | 8426363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8426363 | 10.1021/jm00055a005 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8496917 | 10.1021/jm00062a023 | Serotonin 2 (5-HT2) receptor | 1 |
| 8496917 | 10.1021/jm00062a023 | D(2) dopamine receptor | 1 |
| 8426363 | 10.1021/jm00055a005 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine