Compound Detail
CHEMBL176525
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Basic Information
| ChEMBL ID | CHEMBL176525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHFQFUIIFZUTTC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181538 |
| Active Moiety | CHEMBL1181538 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
2.55
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 4.7 | 4.445 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl | 6106064 |
| Opioid receptors; mu/kappa/delta | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone bindi... | 6106064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6106064 | 10.1021/jm00183a005 | Opioid receptors; mu/kappa/delta | 3 |
| 6106064 | 10.1021/jm00183a005 | Mus musculus | 1 |
| 6106064 | 10.1021/jm00183a005 | No relevant target | 1 |
| 6106064 | 10.1021/jm00183a005 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine