Compound Detail
CHEMBL272501
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Basic Information
| ChEMBL ID | CHEMBL272501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAYGNNCEJVSGSF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.46
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastric gland CHEMBL613448 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastric gland | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of gastric acid secretion in rabbit gastric gland assessed as accumul... | 17962023 |
| Unchecked | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of hog gastric mucosa H/+K+ ATPase | 17962023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17962023 | 10.1016/j.bmc.2007.10.017 | No relevant target | 2 |
| 17962023 | 10.1016/j.bmc.2007.10.017 | Unchecked | 1 |
| 17962023 | 10.1016/j.bmc.2007.10.017 | Gastric gland | 1 |
Data from ChEMBL 36 via Core Engine