Compound Detail
CHEMBL5568344
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Basic Information
| ChEMBL ID | CHEMBL5568344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVLZIQUNGHDQHD-BGYRXZFFSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.68
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.59
IC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 9.59 | 8.725 | 0.3 | 2 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.75 | 8.75 | 1.8 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 7.01 | 7.01 | 96.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 0.26 | nM | 9.59 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Delta-type opioid receptor | EC50 | = | 1.77 | nM | 8.75 | Partial agonist activity at human DOR expressed in CHO-K1 cells assessed as decr... | 38810170 |
| Mu-type opioid receptor | EC50 | = | 13.72 | nM | 7.86 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Kappa-type opioid receptor | IC50 | = | 96.58 | nM | 7.01 | Antagonist activity at human KOR expressed in CHO-K1 cells assessed as cAMP leve... | 38810170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Mu-type opioid receptor | 6 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Kappa-type opioid receptor | 4 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Delta-type opioid receptor | 2 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Nociceptin receptor | 2 |
Data from ChEMBL 36 via Core Engine