Compound Detail
CHEMBL3973336
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Basic Information
| ChEMBL ID | CHEMBL3973336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYBTXSWAAUNNSM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
6.12
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 14.0 | nM | 7.85 | Binding Assay: The receptor affinity for the human mu-opiate receptor was determ... | - |
| Opioid growth factor receptor-like protein 1 | Ki | = | 23.0 | nM | 7.64 | Binding Assay: The cyclohexane derivatives of the general formula I were investi... | - |
Data from ChEMBL 36 via Core Engine