Compound Detail
CHEMBL4292228
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Basic Information
| ChEMBL ID | CHEMBL4292228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QODPGRHWJBWTJC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
3.92
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.6 | 8.45 | 2.5 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in ba... | 30344914 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated... | 30344914 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of human ERG expressed in CHO cells by Qpatch clamp assay | 30344914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344914 | 10.1021/acsmedchemlett.8b00344 | Receptor-interacting serine/threonine-protein kinase 2 | 2 |
| 30344914 | 10.1021/acsmedchemlett.8b00344 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 30344914 | 10.1021/acsmedchemlett.8b00344 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine