Compound Detail
CHEMBL400204
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Basic Information
| ChEMBL ID | CHEMBL400204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRXMAHCSMSPKKN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
4.38
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastric gland CHEMBL613448 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastric gland | IC50 | = | 10000.0 | nM | 5.0 | Effect on acid secretion in rabbit intact gastric glands assessed as inhibition ... | 17881235 |
| Unchecked | IC50 | = | 12589.25 | nM | 4.9 | Inhibition of H+/K+ ATPase in hog gastric mucosa | 17881235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17881235 | 10.1016/j.bmc.2007.08.065 | No relevant target | 2 |
| 17881235 | 10.1016/j.bmc.2007.08.065 | Unchecked | 1 |
| 17881235 | 10.1016/j.bmc.2007.08.065 | Gastric gland | 1 |
Data from ChEMBL 36 via Core Engine