Compound Detail
CHEMBL3588997
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Basic Information
| ChEMBL ID | CHEMBL3588997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGBNGNXRVODGQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
3.01
ALogP
7
HBA
2
HBD
82.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.47 | 7.47 | 33.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.1 | 6.1 | 789.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 33.6 | nM | 7.47 | Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed... | 25650314 |
| D(2) dopamine receptor | Ki | = | 789.0 | nM | 6.1 | Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed... | 25650314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25650314 | 10.1016/j.bmc.2015.01.017 | ADMET | 2 |
| 25650314 | 10.1016/j.bmc.2015.01.017 | D(2) dopamine receptor | 1 |
| 25650314 | 10.1016/j.bmc.2015.01.017 | D(3) dopamine receptor | 1 |
| 25650314 | 10.1016/j.bmc.2015.01.017 | D(4) dopamine receptor | 1 |
| 25650314 | 10.1016/j.bmc.2015.01.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine