Compound Detail
CHEMBL346898
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Basic Information
| ChEMBL ID | CHEMBL346898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZOCKYDZSPRJPT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
3.45
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 5.41 | 5.41 | 3910.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.79 | 4.79 | 16100.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.75 | 4.75 | 17900.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 4.63 | 4.63 | 23200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 3910.0 | nM | 5.41 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell... | 34011153 |
| D(3) dopamine receptor | Ki | = | 16100.0 | nM | 4.79 | Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed... | 34011153 |
| D(2) dopamine receptor | Ki | = | 17900.0 | nM | 4.75 | Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed... | 34011153 |
| D(4) dopamine receptor | Ki | = | 23200.0 | nM | 4.63 | Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed... | 34011153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565962 | 10.1016/s0960-894x(02)00943-5 | Sodium-dependent dopamine transporter | 1 |
| 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