Compound Detail
CHEMBL91855
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Basic Information
| ChEMBL ID | CHEMBL91855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZJGQWAIMNQWOZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.7
MW (Da)
3.06
ALogP
2
HBA
1
HBD
30.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | EC50 | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 3.981 | nM | 8.4 | Binding affinity against human 5-hydroxytryptamine 2C receptor using displacemen... | 9276022 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 199.53 | nM | 6.7 | Binding affinity against human 5-hydroxytryptamine 2A receptor using displacemen... | 9276022 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 2511.89 | nM | 5.6 | Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 f... | 9276022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276022 | 10.1021/jm970030l | 5-hydroxytryptamine receptor 2C | 5 |
| 9276022 | 10.1021/jm970030l | 5-hydroxytryptamine receptor 2A | 1 |
| 9276022 | 10.1021/jm970030l | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine