Compound Detail
CHEMBL435380
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Basic Information
| ChEMBL ID | CHEMBL435380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRPRNNRJTCONEC-BWAGFHJFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.87
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL2858 | Ki | 8.23 | 8.23 | 5.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.32 | 7.32 | 47.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 5.85 | nM | 8.23 | Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | 7658453 |
| Mu-type opioid receptor | Ki | = | 47.7 | nM | 7.32 | Binding affinity against Opioid receptor mu 1 | 10669565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658453 | 10.1021/jm00018a026 | Mus musculus | 2 |
| 10669565 | 10.1021/jm9903702 | Mu-type opioid receptor | 1 |
| 10669565 | 10.1021/jm9903702 | Delta-type opioid receptor | 1 |
| 10669565 | 10.1021/jm9903702 | Kappa-type opioid receptor | 1 |
| 7658453 | 10.1021/jm00018a026 | Mu-type opioid receptor | 1 |
| 7658453 | 10.1021/jm00018a026 | Delta-type opioid receptor | 1 |
| 7658453 | 10.1021/jm00018a026 | Cavia porcellus | 1 |
| 7658453 | 10.1021/jm00018a026 | Oryctolagus cuniculus | 1 |
| 7658453 | 10.1021/jm00018a026 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine