Compound Detail
CHEMBL365609
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O=C(O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL365609 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DUWKOSCGSPLVIE-VTMRUAGOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
666.7
MW (Da)
1.66
ALogP
7
HBA
6
HBD
184.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 18000.0 | nM | 4.75 | Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes | 15456262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456262 | 10.1021/jm0498811 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine