Compound Detail
CHEMBL606737
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(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL606737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMBIVIIMBVYXLE-DHLKQENFSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.08
ALogP
4
HBA
3
HBD
95.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.89
EC50 1 meas. best 7.28
Kd 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Kd | 7.9 | 7.9 | 12.6 | 1 |
| Delta-type opioid receptor CHEMBL3222 | EC50 | 7.28 | 7.28 | 52.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.13 | nM | 9.89 | Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synapto... | 11806723 |
| Mu-type opioid receptor | Ki | = | 7.22 | nM | 8.14 | Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1 | 11806723 |
| Delta-type opioid receptor | Kd | = | 12.59 | nM | 7.9 | Negative logarithm of the molar concentration required to double the agonist con... | 11806723 |
| Delta-type opioid receptor | EC50 | = | 52.48 | nM | 7.28 | Negative logarithm of the molar concentration required to produce 50% of the max... | 11806723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806723 | 10.1021/jm010449i | Delta-type opioid receptor | 3 |
| 11806723 | 10.1021/jm010449i | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine