Compound Detail
CHEMBL36707
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Basic Information
| ChEMBL ID | CHEMBL36707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTLFZKBHJPSVMV-SLTAFYQDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
1.88
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL3041 | Ki | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 75.0 | nM | 7.12 | Binding affinity towards opioid receptor mu 1 | 1315868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1315868 | 10.1021/jm00087a004 | Mu-type opioid receptor | 2 |
| 1315868 | 10.1021/jm00087a004 | Kappa-type opioid receptor | 2 |
| 1315868 | 10.1021/jm00087a004 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine