Compound Detail
CHEMBL464436
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Basic Information
| ChEMBL ID | CHEMBL464436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEJWEIBZNYAPGL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
4.01
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 398.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 398.11 | nM | 6.4 | Inhibition of H+/K+ ATPase in hog gastric mucosa by malachite green assay | 19026549 |
| Unchecked | IC50 | = | 398.11 | nM | 6.4 | Inhibition of H+/K+ ATPase in New Zealand rabbit gastric gland assessed as 14C]-... | 19026549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19026549 | 10.1016/j.bmc.2008.10.055 | Unchecked | 2 |
| 19026549 | 10.1016/j.bmc.2008.10.055 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine