Compound Detail
CHEMBL85194
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Basic Information
| ChEMBL ID | CHEMBL85194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJZZJTLBYXHUSJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.22
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL3006 | Ki | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by mic... | 27261181 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 138.04 | nM | 6.86 | Binding affinity analysed on 5-HT 2C in rat stomach fundus | 8709108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 8709108 | 10.1021/jm960062t | 5-hydroxytryptamine receptor 2B | 1 |
| 8709108 | 10.1021/jm960062t | 5-hydroxytryptamine receptor 2A | 1 |
| 8709108 | 10.1021/jm960062t | 5-hydroxytryptamine receptor 2C | 1 |
| 8709108 | 10.1021/jm960062t | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | 1 |
| 8709108 | 10.1021/jm960062t | Unchecked | 1 |
| 27261181 | 10.1016/j.bmcl.2016.05.079 | 5-hydroxytryptamine receptor 2A | 1 |
| 27261181 | 10.1016/j.bmcl.2016.05.079 | 5-hydroxytryptamine receptor 2B | 1 |
| 27261181 | 10.1016/j.bmcl.2016.05.079 | 5-hydroxytryptamine receptor 2C | 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