Compound Detail
CHEMBL3355780
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@H](CC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3355780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNJPNLLIMMTKCN-SNQLSURLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
767.9
MW (Da)
1.26
ALogP
8
HBA
8
HBD
234.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 0.04 | nM | 10.4 | Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes by liquid scint... | 25456075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25456075 | 10.1016/j.bmc.2014.10.022 | Mu-type opioid receptor | 1 |
| 25456075 | 10.1016/j.bmc.2014.10.022 | Delta-type opioid receptor | 1 |
| 25456075 | 10.1016/j.bmc.2014.10.022 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine