Compound Detail
CHEMBL3597654
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Basic Information
| ChEMBL ID | CHEMBL3597654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVECQJGBKKFGEZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
2.55
ALogP
6
HBA
2
HBD
77.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.42 | 7.42 | 37.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 37.7 | nM | 7.42 | Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown ... | 26203768 |
| D(2) dopamine receptor | Ki | = | 1030.0 | nM | 5.99 | Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown ... | 26203768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26203768 | 10.1021/acs.jmedchem.5b00776 | D(2) dopamine receptor | 1 |
| 26203768 | 10.1021/acs.jmedchem.5b00776 | D(3) dopamine receptor | 1 |
| 26203768 | 10.1021/acs.jmedchem.5b00776 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine