Compound Detail
CHEMBL538705
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
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1C/C=C/C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL538705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCMCHWGSDARFIP-OJXRBHSGSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1357.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.86
EC50 1 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | EC50 | 9.33 | 9.33 | 0.5 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 8.86 | 8.86 | 1.4 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.63 | 8.63 | 2.3 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 0.47 | nM | 9.33 | Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells asse... | 19715279 |
| Kappa-type opioid receptor | Ki | = | 1.38 | nM | 8.86 | Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CH... | 19715279 |
| Mu-type opioid receptor | Ki | = | 2.33 | nM | 8.63 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells | 19715279 |
| Delta-type opioid receptor | Ki | = | 7.17 | nM | 8.14 | Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cell... | 19715279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19715279 | 10.1021/jm900577k | Kappa-type opioid receptor | 3 |
| 19715279 | 10.1021/jm900577k | Unchecked | 2 |
| 19715279 | 10.1021/jm900577k | Mu-type opioid receptor | 1 |
| 19715279 | 10.1021/jm900577k | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine