Compound Detail
CHEMBL3740498
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Basic Information
| ChEMBL ID | CHEMBL3740498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STYCWWIKECWBBA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3740360 |
| Active Moiety | CHEMBL3740360 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
5.06
ALogP
6
HBA
1
HBD
57.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.89 | 5.89 | 1290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 290.0 | nM | 6.54 | Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK2... | 26707842 |
| D(2) dopamine receptor | Ki | = | 1290.0 | nM | 5.89 | Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK2... | 26707842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26707842 | 10.1016/j.bmc.2015.12.002 | D(3) dopamine receptor | 2 |
| 26707842 | 10.1016/j.bmc.2015.12.002 | D(2) dopamine receptor | 2 |
| 26707842 | 10.1016/j.bmc.2015.12.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine