Compound Detail
CHEMBL190582
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Basic Information
| ChEMBL ID | CHEMBL190582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWWDJTRMFFMPHB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
1.50
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.9 | 6.44 | 125.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 125.89 | nM | 6.9 | Inhibitory constant towards 5-hydroxytryptamine 2C receptor (5-HT2C) | 15878662 |
| Unchecked | Ki | = | 1047.13 | nM | 5.98 | Inhibitory constant towards 5-hydroxytryptamine 2A receptor (5-HT2A) | 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