Compound Detail
CHEMBL299713
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Basic Information
| ChEMBL ID | CHEMBL299713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWEQNWYNTADICN-ORDHDVHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
381.6
MW (Da)
4.38
ALogP
5
HBA
1
HBD
59.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 13.0 | nM | 7.89 | Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ... | 15055988 |
| Mu-type opioid receptor | Ki | = | 200.0 | nM | 6.7 | Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovar... | 15055988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055988 | 10.1021/jm049978n | Mu-type opioid receptor | 1 |
| 15055988 | 10.1021/jm049978n | Delta-type opioid receptor | 1 |
| 15055988 | 10.1021/jm049978n | Kappa-type opioid receptor | 1 |
| 15055988 | 10.1021/jm049978n | Opioid receptors; mu & kappa | 1 |
| 15055988 | 10.1021/jm049978n | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine