Compound Detail
CHEMBL4593758
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Basic Information
| ChEMBL ID | CHEMBL4593758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMNNNCPLXWQXDG-SNAWJCMRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.72
ALogP
6
HBA
2
HBD
71.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.41 | 7.41 | 39.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.33 | 5.33 | 4634.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 39.1 | nM | 7.41 | Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 ... | 27591013 |
| D(2) dopamine receptor | Ki | = | 4634.0 | nM | 5.33 | Displacement of [3H]spiperone from rat D2L dopamine receptor expressed in HEK293... | 27591013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27591013 | 10.1016/j.bmc.2016.08.021 | D(2) dopamine receptor | 1 |
| 27591013 | 10.1016/j.bmc.2016.08.021 | D(3) dopamine receptor | 1 |
| 27591013 | 10.1016/j.bmc.2016.08.021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine