Compound Detail
CHEMBL106886
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Basic Information
| ChEMBL ID | CHEMBL106886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLNBXWPJNSJICB-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.09
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.01 | 7.01 | 97.6 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 97.6 | nM | 7.01 | Binding affinity against Dopamine receptor D2 from rat brain corpus striatum mem... | 2147956 |
| D(1A) dopamine receptor | IC50 | = | 3100.0 | nM | 5.51 | Binding affinity against Dopamine receptor D1 from rat brain corpus striatum mem... | 2147956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2147956 | 10.1021/jm00174a002 | D(1A) dopamine receptor | 1 |
| 2147956 | 10.1021/jm00174a002 | D(2) dopamine receptor | 1 |
| 2147956 | 10.1021/jm00174a002 | Dopamine D1 and D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine