Compound Detail
CHEMBL5400356
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Basic Information
| ChEMBL ID | CHEMBL5400356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQDDNQVYYAJBQL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
3.73
ALogP
6
HBA
0
HBD
50.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.51 | 6.51 | 307.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.77 | 5.77 | 1690.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.68 | 5.68 | 2070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 307.0 | nM | 6.51 | Displacement of [3H]N-methylspiperone from human D3R receptor expressed in HEK29... | 37467430 |
| D(2) dopamine receptor | Ki | = | 1690.0 | nM | 5.77 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK29... | 37467430 |
| Mu-type opioid receptor | Ki | = | 2070.0 | nM | 5.68 | Displacement of [3H]-DAMGO from human MOR receptor expressed in HEK293T cell mem... | 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