Compound Detail
CHEMBL111233
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Basic Information
| ChEMBL ID | CHEMBL111233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNWWFIQDEPGZND-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
6.00
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 6.06 | 6.06 | 879.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2.5 | nM | 8.6 | Binding affinity for recombinant human mu-opioid receptor was determined by usin... | 15454210 |
| Nociceptin receptor | Ki | = | 879.0 | nM | 6.06 | Binding affinity against human orphanin FQ receptor expressed in recombinant HEK... | 12951102 |
| Nociceptin receptor | Ki | = | 879.0 | nM | 6.06 | Binding affinity for opioid receptor like 1 expressed in HEK293 cells | 15454210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Nociceptin receptor | 3 |
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Nociceptin receptor | 2 |
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine