Compound Detail
CHEMBL172034
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CC(=O)C(=[N+]=[N-])C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL172034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVMVEWHUJOKRDX-PGRDOPGGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.23
ALogP
3
HBA
0
HBD
77.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 7.23 | 6.615 | 59.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 59.0 | nM | 7.23 | Displacement [3H]naloxone from rat-brain Opioid receptors | 6288945 |
| Opioid receptor | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]nalotrexone from rat-brain Opioid receptors | 6288945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6288945 | 10.1021/jm00350a006 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine