Compound Detail
CHEMBL5289562
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Basic Information
| ChEMBL ID | CHEMBL5289562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFFDMJARGAXCCI-YYWHXJBOSA-N |
2
Targets
2
Activities
2
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.14
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.24
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.24 | 7.24 | 57.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.253 | - | Mus musculus |
| Fu | 0.375 | - | Homo sapiens |
| Fu | 0.009 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 57.0 | nM | 7.24 | Induction of progranulin secretion in mouse BV-2 cells | 36368496 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of human ERG | 36368496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36368496 | 10.1016/j.bmcl.2022.129048 | ADMET | 5 |
| 36368496 | 10.1016/j.bmcl.2022.129048 | Unchecked | 1 |
| 36368496 | 10.1016/j.bmcl.2022.129048 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine