Compound Detail
CHEMBL192372
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL192372 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DPRAGYLHLFDPCX-LAMIVESZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
613.8
MW (Da)
2.37
ALogP
6
HBA
5
HBD
167.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.46 | 9.46 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.35 | nM | 9.46 | Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu o... | 15857130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857130 | 10.1021/jm049157i | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine