Compound Detail
CHEMBL544641
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Basic Information
| ChEMBL ID | CHEMBL544641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKARYMJROMJETB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL24035 |
| Active Moiety | CHEMBL24035 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.6
MW (Da)
4.06
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 7.98 | 7.98 | 10.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 10.5 | nM | 7.98 | In vitro binding affinity to Opioid receptor delta 1 in rat brain membranes by [... | 10639287 |
| Mu-type opioid receptor | Ki | = | 10000.0 | nM | 5.0 | In vitro radioligand binding assay, for inhibition of [3H]-DAMGO (Tyr-D-Ala-Gly-... | 10639287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10639287 | 10.1021/jm9903895 | Mu-type opioid receptor | 1 |
| 10639287 | 10.1021/jm9903895 | Delta-type opioid receptor | 1 |
| 10639287 | 10.1021/jm9903895 | Kappa-type opioid receptor | 1 |
| 10639287 | 10.1021/jm9903895 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine