Compound Detail
CHEMBL510939
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
CCCCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL510939 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ISXFTRWXVQNDLR-LEBFSMOPSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
751.9
MW (Da)
3.13
ALogP
7
HBA
7
HBD
212.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.54 | 8.54 | 2.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.396 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2.92 | nM | 8.54 | Displacement of [3H]DAMGO from mu opioid receptor in human SHSY5Y cells | 18468445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18468445 | 10.1016/j.bmc.2008.04.020 | Caco-2 | 2 |
| 18468445 | 10.1016/j.bmc.2008.04.020 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine