Compound Detail
CHEMBL2112605
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Basic Information
| ChEMBL ID | CHEMBL2112605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEPBXECUPSIRLM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.02
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.42 | 10.42 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.038 | nM | 10.42 | Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue | 8246241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246241 | 10.1021/jm00075a028 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine