Compound Detail
CHEMBL72630
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Basic Information
| ChEMBL ID | CHEMBL72630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKCUEEXFTZSNLI-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.4
MW (Da)
3.89
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.0 | 6.48 | 10.0 | 2 |
| D(2) dopamine receptor CHEMBL3998 | Ki | 7.72 | 6.0367 | 19.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in r... | 11206464 |
| D(2) dopamine receptor | Ki | = | 19.1 | nM | 7.72 | Inhibition of [3H]YM-09151-2 binding to bovine retina membrane Dopamine receptor... | 9836610 |
| D(2) dopamine receptor | Ki | = | 4990.0 | nM | 5.3 | Tested for binding affinity against Dopamine receptor D2 like from bovine striat... | 9836610 |
| D(2) dopamine receptor | Ki | = | 8200.0 | nM | 5.09 | Inhibition of [3H]YM-09151-2 binding to bovine retina membrane Dopamine receptor... | 9836610 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Binding affinity for dopamine D2-D3 like receptor labelled with [3H]YM-09151-2 i... | 11206464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836610 | 10.1021/jm9708700 | D(2) dopamine receptor | 3 |
| 11206464 | 10.1016/s0960-894x(00)00633-8 | Unchecked | 2 |
| 11206464 | 10.1016/s0960-894x(00)00633-8 | D(1A) dopamine receptor | 1 |
| 11206464 | 10.1016/s0960-894x(00)00633-8 | Dopamine receptors; D2 & D4 | 1 |
| 9836610 | 10.1021/jm9708700 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine