Compound Detail
CHEMBL288178
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(Cl)C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5
Basic Information
| ChEMBL ID | CHEMBL288178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVSBLZZXOLNTIU-NGCYQRTHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
2.40
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL3041 | IC50 | 7.63 | 7.63 | 23.5 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.75 | 6.75 | 177.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.3 | 6.3 | 501.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 23.5 | nM | 7.63 | Compound was tested for Inhibition of [3H]DAMGO (0.25 nM) binding to mu receptor... | - |
| Delta-type opioid receptor | IC50 | = | 177.0 | nM | 6.75 | Compound was tested for Inhibition of 9 (1 nM) binding to Opioid receptor delta ... | - |
| Kappa-type opioid receptor | IC50 | = | 501.0 | nM | 6.3 | Compound was tested for Inhibition of [3H]-DPDPE (0.2 nM) binding to Opioid rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00274-0 | Mu-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(96)00274-0 | Delta-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(96)00274-0 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine