Compound Detail
CHEMBL4445209
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Basic Information
| ChEMBL ID | CHEMBL4445209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POIKSTHXKNCWIR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.15
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid-sensing ion channel 2 CHEMBL3232695 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Acid-sensing ion channel 1/2 CHEMBL4523651 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid-sensing ion channel 2 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of pH 5.5-stimulated mouse ASIC2a homomer expressed in CHOK1 cells as... | 30996808 |
| Acid-sensing ion channel 1/2 | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of pH 6.25-stimulated mouse ASIC1a/2a heterodimer expressed in CHOK1 ... | 30996808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996808 | 10.1021/acsmedchemlett.8b00591 | Acid-sensing ion channel 1 | 1 |
| 30996808 | 10.1021/acsmedchemlett.8b00591 | Acid-sensing ion channel 2 | 1 |
| 30996808 | 10.1021/acsmedchemlett.8b00591 | Acid-sensing ion channel 1/2 | 1 |
Data from ChEMBL 36 via Core Engine