Compound Detail
CHEMBL1533638
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Basic Information
| ChEMBL ID | CHEMBL1533638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXKHXAVSFKYRHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.59
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 5.34 | 5.34 | 4560.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.37 | 4.37 | 42974.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu & delta | EC50 | = | 4560.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Mu-type opioid receptor | EC50 | = | 42974.0 | nM | 4.37 | PubChem BioAssay. Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
Data from ChEMBL 36 via Core Engine