Compound Detail
CHEMBL6737
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Basic Information
| ChEMBL ID | CHEMBL6737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LATVFYDIBMDBSY-MRVPVSSYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
1.59
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.04
EC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.04 | 6.835 | 9.2 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.28 | 6.28 | 520.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 9.2 | nM | 8.04 | Binding affinity for 5-HT2A serotonin receptor | 15537358 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 520.0 | nM | 6.28 | Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]DOI as ... | 11300881 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 740.0 | nM | 6.13 | Serotonin 5-HT2A receptor-mediated intracellular calcium [Ca2+] mobilization in ... | 15537358 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2340.0 | nM | 5.63 | Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]DOB as ... | 11300881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300881 | 10.1021/jm000491y | 5-hydroxytryptamine receptor 2A | 3 |
| 15537358 | 10.1021/jm040082s | 5-hydroxytryptamine receptor 2A | 3 |
| 11300881 | 10.1021/jm000491y | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine