Compound Detail
CHEMBL393803
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Basic Information
| ChEMBL ID | CHEMBL393803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VICXCCIJNUZKDG-SFHVURJKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.72
ALogP
4
HBA
0
HBD
46.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 6.7667 | 158.5 | 3 |
| Gastric gland CHEMBL613448 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 158.49 | nM | 6.8 | Inhibition of H+/K+ ATPase in hog gastric mucosa | 17975907 |
| Unchecked | IC50 | = | 158.49 | nM | 6.8 | Inhibition of H+/K+ ATPase in hog gastric mucosa by malachite green assay | 19026549 |
| Gastric gland | IC50 | = | 199.53 | nM | 6.7 | Inhibition of acid secretion in rabbit intact gastric glands assessed as [14C]di... | 17975907 |
| Unchecked | IC50 | = | 199.53 | nM | 6.7 | 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 |
| 17975907 | 10.1021/jm7010063 | Rattus norvegicus | 1 |
| 17975907 | 10.1021/jm7010063 | Unchecked | 1 |
| 17975907 | 10.1021/jm7010063 | Gastric gland | 1 |
Data from ChEMBL 36 via Core Engine