Compound Detail
CHEMBL2442270
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Basic Information
| ChEMBL ID | CHEMBL2442270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZCULFYPORSPJU-BJMVGYQFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
1.16
ALogP
2
HBA
4
HBD
80.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 7.0 | 7.0 | 101.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.63 | 6.63 | 232.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.46 | 6.46 | 349.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.93 | 5.93 | 1169.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A | Ki | = | 101.0 | nM | 7.0 | Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in Flp-I... | 24084296 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 232.0 | nM | 6.63 | Displacement of [3H]LSD from human recombinant 5HT2B receptor stably expressed i... | 24084296 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 349.0 | nM | 6.46 | Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed ... | 24084296 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1169.0 | nM | 5.93 | Displacement of [3H]ketanserin from rat 5HT2A receptor stably expressed in 3T3 c... | 24084296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 2A | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 2C | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 2B | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 5A | 1 |
Data from ChEMBL 36 via Core Engine