Compound Detail
CHEMBL1094879
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Basic Information
| ChEMBL ID | CHEMBL1094879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONEIDYFRAIKBGR-KSSFIOAISA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
3.30
ALogP
4
HBA
0
HBD
53.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.51 | 9.51 | 0.3 | 4 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.31 | nM | 9.51 | Affinity to opioid receptor kappa 1 using [3H]U-69593 as radioligand in homogena... | 11495592 |
| Kappa-type opioid receptor | Ki | = | 0.31 | nM | 9.51 | Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membra... | 20441176 |
| Kappa-type opioid receptor | Ki | = | 0.31 | nM | 9.51 | Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membr... | 25062506 |
| Kappa-type opioid receptor | Ki | = | 0.31 | nM | 9.51 | Displacement of [3H]U-69593 from kappa-opioid receptor in guinea pig brain membr... | 24856182 |
| Mu-type opioid receptor | Ki | = | 0.36 | nM | 9.44 | Affinity to mu-receptor, using [3H]DAMGO as radioligand in homogenates of guinea... | 11495592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495592 | 10.1021/jm0108395 | Kappa-type opioid receptor | 1 |
| 11495592 | 10.1021/jm0108395 | Mu-type opioid receptor | 1 |
| 11495592 | 10.1021/jm0108395 | Unchecked | 1 |
| 11495592 | 10.1021/jm0108395 | Glutamate [NMDA] receptor | 1 |
| 20441176 | 10.1021/jm100182p | Kappa-type opioid receptor | 1 |
| 25062506 | 10.1021/jm500940q | Kappa-type opioid receptor | 1 |
| 24856182 | 10.1016/j.bmc.2014.04.054 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine