Compound Detail
CHEMBL48420
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Basic Information
| ChEMBL ID | CHEMBL48420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYPHSPITDGFDMD-USXIJHARSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
2.96
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.82 | 5.82 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 7.9 | nM | 8.1 | Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in ... | 14695830 |
| Mu-type opioid receptor | Ki | = | 7.9 | nM | 8.1 | Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells ... | 22439881 |
| Kappa-type opioid receptor | Ki | = | 110.0 | nM | 6.96 | Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radiolig... | 14695830 |
| Kappa-type opioid receptor | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO c... | 22439881 |
| Delta-type opioid receptor | Ki | = | 1500.0 | nM | 5.82 | Binding affinity against opioid receptor delta 1 using [3H]naltrindole as radiol... | 14695830 |
| Delta-type opioid receptor | Ki | = | 1500.0 | nM | 5.82 | Displacement of [3H]-naltrindole from human delta opioid receptor expressed in C... | 22439881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22439881 | 10.1021/jm3001086 | Unchecked | 2 |
| 14695830 | 10.1021/jm0304156 | Mu-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Delta-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Kappa-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; mu & delta | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; delta & kappa | 1 |
| 22439881 | 10.1021/jm3001086 | Delta-type opioid receptor | 1 |
| 22439881 | 10.1021/jm3001086 | Kappa-type opioid receptor | 1 |
| 22439881 | 10.1021/jm3001086 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine