Compound Detail
CHEMBL1700847
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Basic Information
| ChEMBL ID | CHEMBL1700847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJEXYTGDQNIOLN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.9
MW (Da)
3.74
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 6.28 | 6.28 | 524.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 5.44 | 5.44 | 3637.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 4.57 | 4.57 | 26896.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu & delta | EC50 | = | 524.01 | nM | 6.28 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Mu-type opioid receptor | EC50 | = | 3637.0 | nM | 5.44 | PubChem BioAssay. Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
| Delta-type opioid receptor | EC50 | = | 26896.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
Data from ChEMBL 36 via Core Engine