Compound Detail
CHEMBL5094044
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Basic Information
| ChEMBL ID | CHEMBL5094044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCDNISCTQCOCTC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.01
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.19 | 6.19 | 649.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 4.7 | 4.7 | 20200.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.43 | 4.43 | 36900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 649.0 | nM | 6.19 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell... | 34011153 |
| D(4) dopamine receptor | Ki | = | 20200.0 | nM | 4.7 | Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed... | 34011153 |
| D(3) dopamine receptor | Ki | = | 36900.0 | nM | 4.43 | Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed... | 34011153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34011153 | 10.1021/acs.jmedchem.1c00611 | D(2) dopamine receptor | 1 |
| 34011153 | 10.1021/acs.jmedchem.1c00611 | Mu-type opioid receptor | 1 |
| 34011153 | 10.1021/acs.jmedchem.1c00611 | D(3) dopamine receptor | 1 |
| 34011153 | 10.1021/acs.jmedchem.1c00611 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine