Compound Detail
CHEMBL60213
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Basic Information
| ChEMBL ID | CHEMBL60213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSOZZCMSSAVDQC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.4
MW (Da)
5.04
ALogP
5
HBA
1
HBD
56.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3.9 | nM | 8.41 | Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]IABN displacement... | 14684327 |
| D(2) dopamine receptor | Ki | = | 33.0 | nM | 7.48 | Binding affinity at dopamine receptor D2 on Sf9 cells by [125I]IABN displacement... | 14684327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684327 | 10.1016/j.bmcl.2003.09.083 | D(2) dopamine receptor | 1 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | D(3) dopamine receptor | 1 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | Dopamine receptor D2 and D3 | 1 |
Data from ChEMBL 36 via Core Engine