Compound Detail
CHEMBL1079581
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Basic Information
| ChEMBL ID | CHEMBL1079581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWMMLHPPVQEXEF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.79
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.981 | nM | 8.4 | Inhibition of H+/K+ ATPase at pH 7.4 | 19846298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19846298 | 10.1016/j.bmcl.2009.07.002 | Unchecked | 2 |
| 19846298 | 10.1016/j.bmcl.2009.07.002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine