Compound Detail
CHEMBL5415557
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Basic Information
| ChEMBL ID | CHEMBL5415557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRKVMJHROLSFMV-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
4.16
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.26 | 7.26 | 54.7 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.07 | 4.07 | 85100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 54.7 | nM | 7.26 | Displacement of [3H]-DAMGO from human MOR receptor expressed in HEK293T cell mem... | 37467430 |
| D(3) dopamine receptor | Ki | = | 85100.0 | nM | 4.07 | 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