Compound Detail
CHEMBL304008
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Basic Information
| ChEMBL ID | CHEMBL304008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJYVGMRFPFNZCT-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
1.65
ALogP
3
HBA
3
HBD
60.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.82
EC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | IC50 | = | 15.0 | nM | 7.82 | Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using ... | 2374139 |
| 5-hydroxytryptamine receptor 1B | EC50 | = | 56.0 | nM | 7.25 | Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxyt... | 2374139 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 2200.0 | nM | 5.66 | Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1... | 2374139 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 3000.0 | nM | 5.52 | Displacement of [3H]8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor | 2374139 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 6400.0 | nM | 5.19 | Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1... | 2374139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 1B | 3 |
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 1D | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 1A | 1 |
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 2C | 1 |
| 2374139 | 10.1021/jm00170a007 | Serotonin 2 (5-HT2) receptor | 1 |
| 2374139 | 10.1021/jm00170a007 | Rattus norvegicus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine