Compound Detail
CHEMBL247758
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
Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL247758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNNRFUWQCDJULI-CGIBELHQSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
624.7
MW (Da)
0.24
ALogP
7
HBA
7
HBD
222.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.11
EC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.31 | 7.31 | 49.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.78 | nM | 9.11 | Displacement of [3H]diprenorphine from human cloned delta opioid receptor | 17350835 |
| Delta-type opioid receptor | EC50 | = | 2.5 | nM | 8.6 | Agonist activity at human cloned delta opioid receptor assessed as stimulation o... | 17350835 |
| Mu-type opioid receptor | Ki | = | 9.8 | nM | 8.01 | Displacement of [3H]diprenorphine from human cloned mu opioid receptor | 17350835 |
| Mu-type opioid receptor | EC50 | = | 49.0 | nM | 7.31 | Agonist activity at human cloned mu opioid receptor assessed as stimulation of [... | 17350835 |
| Kappa-type opioid receptor | Ki | = | 2400.0 | nM | 5.62 | Displacement of [3H]diprenorphine from human cloned kappa opioid receptor | 17350835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17350835 | 10.1016/j.bmcl.2007.01.092 | Mu-type opioid receptor | 2 |
| 17350835 | 10.1016/j.bmcl.2007.01.092 | Delta-type opioid receptor | 2 |
| 17350835 | 10.1016/j.bmcl.2007.01.092 | Kappa-type opioid receptor | 1 |
| 17350835 | 10.1016/j.bmcl.2007.01.092 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine