Compound Detail
CHEMBL180107
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Basic Information
| ChEMBL ID | CHEMBL180107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPGNEESVPGFUPQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.10
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 5.81 | 5.81 | 1535.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.61 | 5.61 | 2443.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1535.0 | nM | 5.81 | Binding affinity D3 [3H]-PD 128907 receptor was determined using caudate-putamen... | 15745825 |
| Unchecked | Ki | = | 2443.0 | nM | 5.61 | Binding affinity for D2-like [3H]spiperone receptor was determined using caudate... | 15745825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745825 | 10.1016/j.bmcl.2005.01.037 | Unchecked | 4 |
| 15745825 | 10.1016/j.bmcl.2005.01.037 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine