Compound Detail
CHEMBL5888503
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5888503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CABLYZHRIOWMRB-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
1.46
ALogP
6
HBA
1
HBD
78.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.51
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.27 | 6.27 | 532.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.1 | nM | 8.51 | Binding Activity Assay: Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 6.9 | nM | 8.16 | Binding Activity Assay: Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D... | - |
| D(2) dopamine receptor | Ki | = | 532.0 | nM | 6.27 | Binding Activity Assay: Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 14500.0 | nM | 4.84 | Inhibitory Activity for hERG Channel: Extracellular and intracellular fluids use... | - |
Data from ChEMBL 36 via Core Engine