Compound Detail
CHEMBL442242
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Basic Information
| ChEMBL ID | CHEMBL442242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGGPOYPNHTZKFQ-OAHLLOKOSA-N |
3
Targets
16
Activities
3
Assay Types
4
PK Parameters
20
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
3.97
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 9.35
EC50 4 meas. best 8.7
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.35 | 9.34 | 0.4 | 5 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.8 | 8.7225 | 1.6 | 4 |
| Histamine H3 receptor CHEMBL264 | EC50 | 8.7 | 8.7 | 2.0 | 2 |
| Histamine H3 receptor CHEMBL4124 | EC50 | 8.24 | 8.24 | 5.8 | 2 |
| Histamine H3 receptor CHEMBL264 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.61 | 4.61 | 24800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 61.67 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 58.0 | % | Rattus norvegicus |
| F | 77.0 | % | Canis lupus familiaris |
| T1/2 | 1.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine