Compound Detail
CHEMBL2386899
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Basic Information
| ChEMBL ID | CHEMBL2386899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZECNVZIHKKHMP-SVBPBHIXSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
5.11
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.08 | 6.08 | 826.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 2160.0 | nM | Homo sapiens |
| Ke | 37.0 | nM | Homo sapiens |
| Ke | 48.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in... | 23618710 |
| Delta-type opioid receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed... | 23618710 |
| Kappa-type opioid receptor | Ki | = | 826.0 | nM | 6.08 | Displacement of [3H]U69,593 from human recombinant kappa opioid receptor express... | 23618710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23618710 | 10.1016/j.bmc.2013.02.060 | Mu-type opioid receptor | 4 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Kappa-type opioid receptor | 3 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Delta-type opioid receptor | 3 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine