Compound Detail
CHEMBL5091373
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Basic Information
| ChEMBL ID | CHEMBL5091373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXZLWDMMDSHACB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5095981 |
| Active Moiety | CHEMBL5095981 |
9
Targets
14
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
275.8
MW (Da)
3.78
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 8.8
EC50 4 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.8 | 8.675 | 1.6 | 2 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.16 | 7.16 | 69.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | EC50 | 7.15 | 7.145 | 70.8 | 4 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.08 | 7.08 | 84.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.13 | 6.13 | 740.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34032427 | 10.1021/acs.jmedchem.1c00110 | Unchecked | 9 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 7 | 8 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1B | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1D | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 1E | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 2A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 2B | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 2C | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 3A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 5A | 1 |
| 34032427 | 10.1021/acs.jmedchem.1c00110 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine