Compound Detail
CHEMBL2442276
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Basic Information
| ChEMBL ID | CHEMBL2442276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNSVRFWTXROQNX-NYYWCZLTSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
2.27
ALogP
2
HBA
3
HBD
72.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.03 | 7.03 | 94.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.55 | 6.55 | 279.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.91 | 5.91 | 1223.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.9 | 5.9 | 1271.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.63 | 5.63 | 2332.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.13 | 5.13 | 7361.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 94.0 | nM | 7.03 | Displacement of [3H]LSD from human recombinant 5HT2B receptor stably expressed i... | 24084296 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 279.0 | nM | 6.55 | Displacement of [3H]ketanserin from rat 5HT2A receptor stably expressed in 3T3 c... | 24084296 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1223.0 | nM | 5.91 | Displacement of [3H]LSD from human recombinant 5HT7 receptor stably expressed in... | 24084296 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1271.0 | nM | 5.9 | Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed ... | 24084296 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 2332.0 | nM | 5.63 | Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in Flp-I... | 24084296 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 7361.0 | nM | 5.13 | Displacement of [3H]way100635 from human recombinant 5HT1A receptor stably expre... | 24084296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 1A | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 5A | 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 7 | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 2A | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine