Compound Detail
CHEMBL235107
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
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)NC1CCN(CCc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL235107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSXQNAAVJJDPAE-KUSJRIKGSA-N |
4
Targets
10
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
756.9
MW (Da)
0.36
ALogP
9
HBA
8
HBD
224.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.8
IC50 4 meas. best 8.6
Ki 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 7.8 | 7.795 | 16.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.54 | 7.54 | 28.8 | 2 |
| Mu-opioid receptor CHEMBL5430 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17927164 | 10.1021/jm061465o | Delta-type opioid receptor | 6 |
| 17927164 | 10.1021/jm061465o | Mu-type opioid receptor | 5 |
| 17927164 | 10.1021/jm061465o | Mu-opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine