Compound Detail
CHEMBL153538
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Basic Information
| ChEMBL ID | CHEMBL153538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFIQKMINEHFZSM-KKFHFHRHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.94
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 2.5 | nM | 8.6 | Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC a... | 2831363 |
| Mu-type opioid receptor | Ki | = | 4.2 | nM | 8.38 | Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radiolig... | 2831363 |
| Opioid receptors; mu/kappa/delta | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibitory activity against opioid receptor in Guinea pig ileum | 1310115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2831363 | 10.1021/jm00398a011 | Mus musculus | 3 |
| 2831363 | 10.1021/jm00398a011 | Rattus norvegicus | 3 |
| 2831363 | 10.1021/jm00398a011 | Mu-type opioid receptor | 3 |
| 2831363 | 10.1021/jm00398a011 | Kappa-type opioid receptor | 3 |
| 1310115 | 10.1021/jm00079a005 | Mus musculus | 1 |
| 1310115 | 10.1021/jm00079a005 | Oryctolagus cuniculus | 1 |
| 1310115 | 10.1021/jm00079a005 | Opioid receptors; mu/kappa/delta | 1 |
| 1310115 | 10.1021/jm00079a005 | Mu-type opioid receptor | 1 |
| 1310115 | 10.1021/jm00079a005 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine