Compound Detail
CHEMBL101510
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Basic Information
| ChEMBL ID | CHEMBL101510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGQCVMYAEFTEFN-OAUYIBNBSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.10
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.22 | 7.22 | 59.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.22 | 6.935 | 59.7 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.8 | 6.785 | 157.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.92 | 5.92 | 1210.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 59.7 | nM | 7.22 | Binding affinity against sigma opioid receptor using [3H]pentazocine as radiolig... | 1322987 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 59.7 | nM | 7.22 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 29908442 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 157.0 | nM | 6.8 | Inhibition of [3H]pentazocine binding to Sigma opioid receptor type 1 | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 169.0 | nM | 6.77 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) asses... | 29908442 |
| Unchecked | Ki | = | 225.0 | nM | 6.65 | Binding affinity against PCP receptor using [3H]TCP as radioligand. | 1322987 |
| Glutamate NMDA receptor | Ki | = | 1210.0 | nM | 5.92 | Inhibition of [3H]MK-801 binding to N-methyl-D-aspartate glutamate receptor in r... | 9288174 |
| Sigma 2 receptor | Ki | = | 14200.0 | nM | 4.85 | Inhibition of [3H]-DTG binding to Sigma opioid receptor type 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1322987 | 10.1021/jm00093a014 | Unchecked | 3 |
| - | 10.1016/S0960-894X(97)00417-4 | Sigma non-opioid intracellular receptor 1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Sigma non-opioid intracellular receptor 1 | 2 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Mu-type opioid receptor | 2 |
| 10447948 | 10.1021/jm980428x | Histamine H2 receptor | 1 |
| 10447948 | 10.1021/jm980428x | Unchecked | 1 |
| 9288174 | 10.1021/jm970131j | Glutamate NMDA receptor | 1 |
| 9288174 | 10.1021/jm970131j | Mus musculus | 1 |
| 1322987 | 10.1021/jm00093a014 | Mu-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)00417-4 | Sigma 2 receptor | 1 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Delta-type opioid receptor | 1 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine