Compound Detail
CHEMBL4871980
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Basic Information
| ChEMBL ID | CHEMBL4871980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJWRYKGBTQVLKK-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.63
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.14
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.14 | 7.14 | 72.4 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.56 | 6.56 | 273.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.43 | 6.43 | 373.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.1 | 6.1 | 791.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 5.2 | 5.2 | 6309.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 73.0 | nM | 7.14 | Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) transfected in HEK2... | 34519505 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 72.44 | nM | 7.14 | Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) transfected in HEK2... | 34519505 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 273.0 | nM | 6.56 | Binding affinity to 5HT1A receptor (unknown origin) | 34519505 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 373.0 | nM | 6.43 | Binding affinity to 5HT6 receptor (unknown origin) | 34519505 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 791.0 | nM | 6.1 | Binding affinity to 5HT2B receptor (unknown origin) | 34519505 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 6356.0 | nM | 5.2 | Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed a... | 34519505 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 6309.57 | nM | 5.2 | Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed a... | 34519505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34519505 | 10.1021/acs.jmedchem.1c01093 | 5-hydroxytryptamine receptor 7 | 6 |
| 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