Compound Detail
CHEMBL5417253
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)C(=O)C(CCN1CCN(c2cccc(C(F)(F)F)n2)CC1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5417253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANNLFDUPFAFPFH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
4.69
ALogP
4
HBA
0
HBD
39.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.91 | 8.91 | 1.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.83 | 5.83 | 1480.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.23 | nM | 8.91 | Displacement of [3H]-DAMGO from human MOR receptor expressed in HEK293T cell mem... | 37467430 |
| D(2) dopamine receptor | Ki | = | 1480.0 | nM | 5.83 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK29... | 37467430 |
| D(3) dopamine receptor | Ki | = | 2300.0 | nM | 5.64 | Displacement of [3H]N-methylspiperone from human D3R receptor expressed in HEK29... | 37467430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37467430 | 10.1021/acs.jmedchem.3c00417 | Mu-type opioid receptor | 1 |
| 37467430 | 10.1021/acs.jmedchem.3c00417 | D(2) dopamine receptor | 1 |
| 37467430 | 10.1021/acs.jmedchem.3c00417 | D(3) dopamine receptor | 1 |
| 37467430 | 10.1021/acs.jmedchem.3c00417 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine