Compound Detail
CHEMBL319835
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Basic Information
| ChEMBL ID | CHEMBL319835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXELPJLAYDYLJB-PBVYKCSPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
4.33
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.4 | 7.4 | 40.2 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.62 | 6.62 | 237.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 40.2 | nM | 7.4 | Affinity to sigma-1-receptor, using [3H]pentazocine as radioligand in homogenate... | 11495592 |
| Kappa-type opioid receptor | Ki | = | 237.0 | nM | 6.62 | Affinity to opioid receptor kappa 1 using [3H]U-69593 as radioligand in homogena... | 11495592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495592 | 10.1021/jm0108395 | Kappa-type opioid receptor | 1 |
| 11495592 | 10.1021/jm0108395 | Mu-type opioid receptor | 1 |
| 11495592 | 10.1021/jm0108395 | Unchecked | 1 |
| 11495592 | 10.1021/jm0108395 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine