Compound Detail
CHEMBL427518
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Basic Information
| ChEMBL ID | CHEMBL427518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJGYVPIKFQWJJI-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
419.6
MW (Da)
2.19
ALogP
6
HBA
1
HBD
71.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.43
Ki 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 6.57 | 6.57 | 272.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.57 | 6.57 | 272.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 5.29 | 5.29 | 5168.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.01 | 5.01 | 9665.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | IC50 | = | 37.0 | nM | 7.43 | Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO ce... | 18456500 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 37.0 | nM | 7.43 | Antagonist activity at 5-HT7 receptor (unknown origin) | 31581003 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 100.0 | nM | 7.0 | Binding affinity towards rat 5-HT7 receptor expressed in HEK cells | 15481983 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 272.0 | nM | 6.57 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 18456500 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 272.0 | nM | 6.57 | Antagonist activity at 5-HT1A receptor (unknown origin) | 31581003 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 5168.0 | nM | 5.29 | Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed i... | 18456500 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 9665.0 | nM | 5.01 | Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed ... | 18456500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481983 | 10.1021/jm049743b | 5-hydroxytryptamine receptor 7 | 2 |
| 15481983 | 10.1021/jm049743b | No relevant target | 2 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 7 | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 1A | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 2A | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 2C | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 6 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 7 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine