Compound Detail
CHEMBL216239
CARBOXYFENTANYL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL216239 |
| Name | CARBOXYFENTANYL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEVFKTVEGJUHHI-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.59
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.27
Ki 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.27 | 5.1 | 5400.0 | 2 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.03 | 4.865 | 9400.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 5400.0 | nM | 5.27 | Displacement of [3H]DAMGO from rat mu opioid receptor | 16828552 |
| Mu-type opioid receptor | Ki | = | 5400.0 | nM | 5.27 | Displacement of [3H]DAMGO from rat mu-opioid receptor transfected in HN9.10 cell... | 17927164 |
| Delta-type opioid receptor | IC50 | = | 9400.0 | nM | 5.03 | Displacement of [3H]DPDPE from human delta opioid receptor | 16828552 |
| Delta-type opioid receptor | Ki | = | 9400.0 | nM | 5.03 | Displacement of [3H]DPDPE from human delta-opioid receptor transfected in HN9.10... | 17927164 |
| Mu-type opioid receptor | IC50 | = | 11748.98 | nM | 4.93 | Displacement of [3H]DAMGO from rat mu-opioid receptor transfected in HN9.10 cell... | 17927164 |
| Delta-type opioid receptor | IC50 | = | 19952.62 | nM | 4.7 | Displacement of [3H]DPDPE from human delta-opioid receptor transfected in HN9.10... | 17927164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17927164 | 10.1021/jm061465o | Delta-type opioid receptor | 3 |
| 16828552 | 10.1016/j.bmcl.2006.06.040 | Mu-type opioid receptor | 2 |
| 16828552 | 10.1016/j.bmcl.2006.06.040 | Delta-type opioid receptor | 2 |
| 17927164 | 10.1021/jm061465o | Mu-type opioid receptor | 2 |
| 21925887 | 10.1016/j.bmc.2011.08.027 | Delta-type opioid receptor | 2 |
| 21925887 | 10.1016/j.bmc.2011.08.027 | Mu-type opioid receptor | 2 |
| 17927164 | 10.1021/jm061465o | Mu-opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine