Compound Detail
CHEMBL421665
FLUPERAMIDE 🧪 Phase II
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🧪 Phase II
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL421665 |
| Name | FLUPERAMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WPYGCZCMGMVGNO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
4
Known Names
Molecular Properties
545.0
MW (Da)
6.11
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 2 meas. best 9.96
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 5.67 | 5.67 | 2151.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.11 | nM | 9.96 | Binding affinity for recombinant human mu-opioid receptor was determined by usin... | 15454210 |
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 280.0 | nM | 6.55 | Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... | 2579237 |
| Nociceptin receptor | Ki | = | 2151.0 | nM | 5.67 | Binding affinity for opioid receptor like 1 expressed in HEK293 cells | 15454210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Nociceptin receptor | 3 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Mu-type opioid receptor | 1 |
| 24332655 | 10.1016/j.bmc.2013.11.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine