Compound Detail
CHEMBL3092761
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Basic Information
| ChEMBL ID | CHEMBL3092761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOEJKNIOZRXCRL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3139074 |
| Active Moiety | CHEMBL3139074 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
1.16
ALogP
2
HBA
3
HBD
101.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.06 | 7.06 | 86.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 86.8 | nM | 7.06 | Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 c... | 24189186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24189186 | 10.1016/j.bmc.2013.10.010 | 5-hydroxytryptamine receptor 7 | 1 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine