Compound Detail
CHEMBL38634
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Basic Information
| ChEMBL ID | CHEMBL38634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRKWADRIYCMTBU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.05
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.21 | 9.21 | 0.6 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.66 | 7.66 | 21.9 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.62 | nM | 9.21 | Compound was tested for its binding affinity towards sigma 1 receptor using [3H]... | 9572880 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.6166 | nM | 9.21 | Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell me... | 20067271 |
| Sigma 2 receptor | Ki | = | 22.0 | nM | 7.66 | Binding affinity towards sigma 2 receptor using [3H]DTG in the presence of 200 n... | 9572880 |
| Unchecked | Ki | = | 21.88 | nM | 7.66 | Displacement of [3H]DTG from sigma2 receptor in rat cerebral cortex cell membran... | 20067271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20067271 | 10.1021/jm901542q | Unchecked | 3 |
| 9572880 | 10.1021/jm970740r | Sigma non-opioid intracellular receptor 1 | 2 |
| 9572880 | 10.1021/jm970740r | Sigma 2 receptor | 1 |
| 9572880 | 10.1021/jm970740r | Serotonin 2 (5-HT2) receptor | 1 |
| 9572880 | 10.1021/jm970740r | D(2) dopamine receptor | 1 |
| 9572880 | 10.1021/jm970740r | Alpha-1A adrenergic receptor | 1 |
| 9572880 | 10.1021/jm970740r | Alpha-1B adrenergic receptor | 1 |
| 9572880 | 10.1021/jm970740r | Muscarinic acetylcholine receptor M2 | 1 |
| 9572880 | 10.1021/jm970740r | Muscarinic acetylcholine receptor M3 | 1 |
| 9572880 | 10.1021/jm970740r | Opioid receptor | 1 |
| 9572880 | 10.1021/jm970740r | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 20067271 | 10.1021/jm901542q | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine