Compound Detail
CHEMBL1766034
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
c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)nc1
Basic Information
| ChEMBL ID | CHEMBL1766034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAKCLNPXVSMCSV-IATMXGELSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
5.90
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cel... | 21351746 |
| Mu-type opioid receptor | Ki | = | 610.0 | nM | 6.21 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells a... | 21351746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21351746 | 10.1021/jm101542c | Unchecked | 2 |
| 21351746 | 10.1021/jm101542c | Kappa-type opioid receptor | 1 |
| 21351746 | 10.1021/jm101542c | Delta-type opioid receptor | 1 |
| 21351746 | 10.1021/jm101542c | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine