Compound Detail
CHEMBL3894898
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Basic Information
| ChEMBL ID | CHEMBL3894898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPSHFESBMNTMNM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.54
ALogP
2
HBA
2
HBD
31.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 9.59 | 9.03 | 0.3 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 9.44 | 8.895 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid growth factor receptor-like protein 1 | Ki | = | 0.26 | nM | 9.59 | Binding Assay: The cyclohexane derivatives of the general formula I were investi... | - |
| Mu-type opioid receptor | Ki | = | 0.36 | nM | 9.44 | Binding Assay: The receptor affinity for the human mu-opiate receptor was determ... | - |
| Opioid growth factor receptor-like protein 1 | Ki | = | 3.4 | nM | 8.47 | Binding Assay: The cyclohexane derivatives of the general formula I were investi... | - |
| Mu-type opioid receptor | Ki | = | 4.5 | nM | 8.35 | Binding Assay: The receptor affinity for the human mu-opiate receptor was determ... | - |
Data from ChEMBL 36 via Core Engine