Compound Detail
CHEMBL4636148
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Basic Information
| ChEMBL ID | CHEMBL4636148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBSSDSCEOFCFIV-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.93
ALogP
2
HBA
2
HBD
58.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.35
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.61 | 5.61 | 2460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 4.5 | nM | 8.35 | Displacement of [3H]-LSD from human 5-HT7A receptor expresssed in stable HEK cel... | 32631561 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 49.0 | nM | 7.31 | Displacement of [3H]-WAY100635 from human 5-HT1A receptor expresssed in stable C... | 32631561 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 125.0 | nM | 6.9 | Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 Hunte... | 32631561 |
| D(3) dopamine receptor | Ki | = | 2460.0 | nM | 5.61 | Displacement of [3H]-N-Methylspiperone from dopamine D3 receptor (unknown origin... | 32631561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 7 | 3 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 2A | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 6 | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | D(1A) dopamine receptor | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | D(2) dopamine receptor | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | D(4) dopamine receptor | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | D(1B) dopamine receptor | 2 |
| 32631561 | 10.1016/j.bmc.2020.115578 | 5-hydroxytryptamine receptor 1A | 1 |
| 32631561 | 10.1016/j.bmc.2020.115578 | D(3) dopamine receptor | 1 |
| 32631561 | 10.1016/j.bmc.2020.115578 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine