Compound Detail
CHEMBL49029
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Basic Information
| ChEMBL ID | CHEMBL49029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDZZVBSQIZPFRO-LLSMSMPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
0.85
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 440.0 | nM | 6.36 | Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes usin... | 11425545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425545 | 10.1016/s0960-894x(01)00278-5 | Mu-type opioid receptor | 1 |
| 11425545 | 10.1016/s0960-894x(01)00278-5 | Delta-type opioid receptor | 1 |
| 11425545 | 10.1016/s0960-894x(01)00278-5 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine