Compound Detail
CHEMBL1588202
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Basic Information
| ChEMBL ID | CHEMBL1588202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBDOYHYQUXBBFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
4.88
ALogP
5
HBA
1
HBD
47.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.89 | 4.89 | 12955.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 4.3 | 4.3 | 49985.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 12955.0 | nM | 4.89 | PubChem BioAssay. Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
| Delta-type opioid receptor | EC50 | = | 49985.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
Data from ChEMBL 36 via Core Engine