Compound Detail
CHEMBL170384
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Basic Information
| ChEMBL ID | CHEMBL170384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNKKDOCWGPFFMB-RIHNOLBDSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.10
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.6 | 6.6 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 7.0 | nM | 8.15 | Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H... | 12593663 |
| Kappa-type opioid receptor | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO ce... | 19091564 |
| Mu-type opioid receptor | Ki | = | 18.0 | nM | 7.75 | Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DA... | 12593663 |
| Mu-type opioid receptor | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | 19091564 |
| Delta-type opioid receptor | Ki | = | 250.0 | nM | 6.6 | Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H... | 12593663 |
| Delta-type opioid receptor | Ki | = | 250.0 | nM | 6.6 | Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CH... | 19091564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593663 | 10.1021/jm020429w | Kappa-type opioid receptor | 2 |
| 19091564 | 10.1016/j.bmcl.2008.11.076 | Unchecked | 2 |
| 12593663 | 10.1021/jm020429w | Mu-type opioid receptor | 1 |
| 12593663 | 10.1021/jm020429w | Delta-type opioid receptor | 1 |
| 19091564 | 10.1016/j.bmcl.2008.11.076 | Kappa-type opioid receptor | 1 |
| 19091564 | 10.1016/j.bmcl.2008.11.076 | Delta-type opioid receptor | 1 |
| 19091564 | 10.1016/j.bmcl.2008.11.076 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine