Compound Detail
CHEMBL399814
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Basic Information
| ChEMBL ID | CHEMBL399814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCMKIWCTOBBNBE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.83
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.41 | 6.41 | 389.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 389.49 | nM | 6.41 | Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO... | 17720493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17720493 | 10.1016/j.bmcl.2007.08.008 | Delta-type opioid receptor | 1 |
| 17720493 | 10.1016/j.bmcl.2007.08.008 | Kappa-type opioid receptor | 1 |
| 17720493 | 10.1016/j.bmcl.2007.08.008 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine