Compound Detail
CHEMBL153616
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Basic Information
| ChEMBL ID | CHEMBL153616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNHBREMGNQYFFM-UCFFOFKASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.11
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibitory activity against opioid receptor in Guinea pig ileum | 1310115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1310115 | 10.1021/jm00079a005 | Mus musculus | 1 |
| 1310115 | 10.1021/jm00079a005 | Oryctolagus cuniculus | 1 |
| 1310115 | 10.1021/jm00079a005 | Opioid receptors; mu/kappa/delta | 1 |
| 1310115 | 10.1021/jm00079a005 | Mu-type opioid receptor | 1 |
| 1310115 | 10.1021/jm00079a005 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine