Compound Detail
CHEMBL189618
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Basic Information
| ChEMBL ID | CHEMBL189618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJMYIOFXUXKQPP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.05
ALogP
5
HBA
0
HBD
45.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.33 | 6.07 | 467.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 467.74 | nM | 6.33 | Inhibitory constant towards 5-hydroxytryptamine 2A receptor (5-HT2A) | 15878662 |
| Unchecked | Ki | = | 1548.82 | nM | 5.81 | Inhibitory constant towards 5-hydroxytryptamine 2C receptor (5-HT2C) | 15878662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15878662 | 10.1016/j.bmcl.2005.04.022 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine