Compound Detail
CHEMBL348199
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Basic Information
| ChEMBL ID | CHEMBL348199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAPQBYOLPXMHJL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
4.19
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.7 | 6.7 | 199.0 | 2 |
| Histone-lysine N-methyltransferase SETD7 CHEMBL5523 | IC50 | 4.38 | 4.38 | 41500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 199.0 | nM | 6.7 | Binding affinity against 5-hydroxytryptamine 2A receptor from rat forebrain usin... | 11229772 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 199.0 | nM | 6.7 | Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A re... | 27448773 |
| Histone-lysine N-methyltransferase SETD7 | IC50 | = | 41500.0 | nM | 4.38 | Inhibition of recombinant SET7/9 (unknown origin) using biotinylated histone H3-... | 27448773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229772 | 10.1016/s0960-894x(01)00010-5 | 5-hydroxytryptamine receptor 2A | 1 |
| 27448773 | 10.1016/j.bmc.2016.07.024 | Histone-lysine N-methyltransferase SETD7 | 1 |
| 27448773 | 10.1016/j.bmc.2016.07.024 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine