Compound Detail
CHEMBL2311157
[11C]-CARFENTANIL Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL2311157 |
| Name | [11C]-CARFENTANIL |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | YDSDEBIZUNNPOB-JVVVGQRLSA-N |
| Parent Compound | CHEMBL290429 |
| Active Moiety | CHEMBL290429 |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
8
Publications
1
Known Names
1
Indications
Molecular Properties
394.5
MW (Da)
3.68
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Opioid-Related Disorders
Activity Summary
Ki 2 meas. best 10.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL2858 | Ki | 10.62 | 10.62 | 0.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 10.15 | 10.15 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3383 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.024 | nM | 10.62 | Binding constant for Opioid receptor mu 1 in mouse | 15780604 |
| Mu-type opioid receptor | Ki | = | 0.07 | nM | 10.15 | Displacement of [3H]DAMGO from recombinant human mu opioid receptor | 16302812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780604 | 10.1016/j.bmcl.2005.02.049 | ADMET | 3 |
| 16302812 | 10.1021/jm0507274 | Mus musculus | 3 |
| 37145921 | 10.1021/acs.jmedchem.2c01965 | No relevant target | 3 |
| 15780604 | 10.1016/j.bmcl.2005.02.049 | Mus musculus | 2 |
| 15780604 | 10.1016/j.bmcl.2005.02.049 | No relevant target | 1 |
| 15780604 | 10.1016/j.bmcl.2005.02.049 | Mu-type opioid receptor | 1 |
| 16302812 | 10.1021/jm0507274 | No relevant target | 1 |
| 16302812 | 10.1021/jm0507274 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine