Compound Detail
CHEMBL108076
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Basic Information
| ChEMBL ID | CHEMBL108076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLMLWLMTUDAVSC-MHECFPHRSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
3.50
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Ki | 8.68 | 8.68 | 2.1 | 2 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 7.03 | 7.03 | 93.0 | 2 |
| Kappa-type opioid receptor CHEMBL4329 | Ki | 6.3 | 6.3 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 2.1 | nM | 8.68 | Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enke... | 9379438 |
| Delta-type opioid receptor | Ki | = | 2.1 | nM | 8.68 | inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogena... | - |
| Mu-type opioid receptor | Ki | = | 93.0 | nM | 7.03 | Binding affinity against Opioid receptor mu 1 using [3H][D-Ala2, MePhe4, Gly-ol5... | 9379438 |
| Mu-type opioid receptor | Ki | = | 93.2 | nM | 7.03 | Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | - |
| Kappa-type opioid receptor | Ki | = | 500.0 | nM | 6.3 | Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radiolig... | 9379438 |
| Kappa-type opioid receptor | Ki | = | 500.0 | nM | 6.3 | Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379438 | 10.1021/jm9608218 | Delta-type opioid receptor | 1 |
| 9379438 | 10.1021/jm9608218 | Mu-type opioid receptor | 1 |
| 9379438 | 10.1021/jm9608218 | Kappa-type opioid receptor | 1 |
| 9379438 | 10.1021/jm9608218 | Opioid receptors; mu and delta | 1 |
| 9379438 | 10.1021/jm9608218 | Unchecked | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Delta-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Mu-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine