Compound Detail
CHEMBL4441655
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Basic Information
| ChEMBL ID | CHEMBL4441655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWPMYLXEYGNGDR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
0.83
ALogP
8
HBA
1
HBD
105.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.45 | 5.45 | 3574.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 4.94 | 4.94 | 11590.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.3 | 4.3 | 50140.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 4.01 | 4.01 | 98430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 3574.0 | nM | 5.45 | Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incub... | 31229876 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 11590.0 | nM | 4.94 | Displacement of [3H]-Ketanserin from human 5-HT2A expressed in CHO-K1 cells incu... | 31229876 |
| D(2) dopamine receptor | Ki | = | 50140.0 | nM | 4.3 | Displacement of [3H]-raclopride from human D2L receptor expressed in human HEK29... | 31229876 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 98430.0 | nM | 4.01 | Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells asse... | 31229876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31229876 | 10.1016/j.ejmech.2019.06.022 | 5-hydroxytryptamine receptor 6 | 1 |
| 31229876 | 10.1016/j.ejmech.2019.06.022 | D(2) dopamine receptor | 1 |
| 31229876 | 10.1016/j.ejmech.2019.06.022 | 5-hydroxytryptamine receptor 1A | 1 |
| 31229876 | 10.1016/j.ejmech.2019.06.022 | 5-hydroxytryptamine receptor 2A | 1 |
| 31229876 | 10.1016/j.ejmech.2019.06.022 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine