Compound Detail
CHEMBL4868911
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Basic Information
| ChEMBL ID | CHEMBL4868911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RACXIEAYJFKQIR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
2.52
ALogP
7
HBA
1
HBD
80.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.45 | 6.45 | 356.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.04 | 6.005 | 906.0 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.31 | 5.31 | 4879.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 356.0 | nM | 6.45 | Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cell... | 32693296 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 906.0 | nM | 6.04 | Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in CHO-K1 c... | 32693296 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 1061.0 | nM | 5.97 | Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incu... | 32693296 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 4879.0 | nM | 5.31 | Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells incu... | 32693296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32693296 | 10.1016/j.ejmech.2020.112529 | 5-hydroxytryptamine receptor 6 | 2 |
| 32693296 | 10.1016/j.ejmech.2020.112529 | 5-hydroxytryptamine receptor 7 | 1 |
| 32693296 | 10.1016/j.ejmech.2020.112529 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine