Compound Detail
CHEMBL4876193
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Basic Information
| ChEMBL ID | CHEMBL4876193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZSVIKVOAPBNLM-UHFFFAOYSA-N |
8
Targets
13
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
2.18
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 7.92
IC50 4 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.92 | 7.915 | 12.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.27 | 6.27 | 532.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.2 | 6.2 | 636.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 6.09 | 6.09 | 816.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.01 | 6.01 | 979.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 5.98 | 5.555 | 1047.1 | 4 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.77 | 5.77 | 1685.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.48 | 5.48 | 3293.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.44 | 5.44 | 3617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34519505 | 10.1021/acs.jmedchem.1c01093 | Unchecked | 11 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 7 | 8 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 1A | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 1B | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 1D | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 1E | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 2A | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 2B | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 2C | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 3A | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 4 | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 5A | 1 |
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine