Compound Detail
CHEMBL3143757
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3143757 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FBNUABHYHZWIRY-GTKRZRNESA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
777.9
MW (Da)
4.23
ALogP
8
HBA
6
HBD
200.4
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.72
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.72 | 9.64 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.019 | nM | 10.72 | Inhibition constant against synaptosomal Mu opioid receptor | 16107162 |
| Unchecked | Ki | = | 2.75 | nM | 8.56 | Inhibition constant against synaptosomal Delta Opioid Receptor | 16107162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107162 | 10.1021/jm0504959 | Unchecked | 2 |
| 16107162 | 10.1021/jm0504959 | Delta-type opioid receptor | 2 |
| 16107162 | 10.1021/jm0504959 | Opioid receptors; mu & delta | 1 |
| 16107162 | 10.1021/jm0504959 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine