Compound Detail
CHEMBL119535
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL119535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWXDXQSRKMEUGG-AGDWLBJDSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
661.9
MW (Da)
3.51
ALogP
6
HBA
5
HBD
136.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.12 | 7.12 | 76.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 64.5 | nM | Cavia porcellus |
| Ke | 22.1 | nM | Mus musculus |
| Ke | 54.4 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 61.0 | nM | 7.21 | Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET... | 10479285 |
| Mu-type opioid receptor | Ki | = | 76.2 | nM | 7.12 | Binding affinity for Opioid receptor mu 1 determined by displacing [3H]DAMGO fro... | 10479285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479285 | 10.1021/jm980724+ | Mu-type opioid receptor | 3 |
| 10479285 | 10.1021/jm980724+ | Mus musculus | 2 |
| 10479285 | 10.1021/jm980724+ | Delta-type opioid receptor | 2 |
| 10479285 | 10.1021/jm980724+ | Cavia porcellus | 1 |
| 10479285 | 10.1021/jm980724+ | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine