Compound Detail
CHEMBL391895
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Basic Information
| ChEMBL ID | CHEMBL391895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEJWFNURPGCDGT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
537.7
MW (Da)
5.77
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.82 | 7.82 | 15.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.5 | 6.5 | 313.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 15.2 | nM | 7.82 | Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells | 17826096 |
| D(2) dopamine receptor | Ki | = | 313.0 | nM | 6.5 | Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK ... | 17826096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17826096 | 10.1016/j.bmc.2007.08.034 | D(2) dopamine receptor | 1 |
| 17826096 | 10.1016/j.bmc.2007.08.034 | D(3) dopamine receptor | 1 |
| 17826096 | 10.1016/j.bmc.2007.08.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine