Compound Detail
CHEMBL1800430
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Basic Information
| ChEMBL ID | CHEMBL1800430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUCPZSNUILZADE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
352.9
MW (Da)
4.06
ALogP
3
HBA
2
HBD
38.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid-sensing ion channel 3 CHEMBL5368 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Acid-sensing ion channel 1 CHEMBL1628477 | IC50 | 6.65 | 6.65 | 224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid-sensing ion channel 3 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of ASIC3 assessed as inhibition of peak current by electrophysiology ... | 21669528 |
| Acid-sensing ion channel 1 | IC50 | = | 224.0 | nM | 6.65 | Inhibition of ASIC1a | 21669528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21669528 | 10.1016/j.bmcl.2011.05.064 | Rattus norvegicus | 3 |
| 21669528 | 10.1016/j.bmcl.2011.05.064 | Plasma | 2 |
| 21669528 | 10.1016/j.bmcl.2011.05.064 | Nucleic Acid | 2 |
| 21669528 | 10.1016/j.bmcl.2011.05.064 | Acid-sensing ion channel 3 | 1 |
| 21669528 | 10.1016/j.bmcl.2011.05.064 | Acid-sensing ion channel 1 | 1 |
| 21669528 | 10.1016/j.bmcl.2011.05.064 | Brain | 1 |
Data from ChEMBL 36 via Core Engine