Compound Detail
CHEMBL2035455
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Basic Information
| ChEMBL ID | CHEMBL2035455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMIMPQBKBZTWCT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.12
ALogP
5
HBA
1
HBD
60.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of H+/K+ATPase in pig gastric microsomes assessed as liberation of in... | 22579619 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of H+/K+-ATPase in porcine stomach gastric mucosal microsomes assesse... | 28442261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28442261 | 10.1016/j.bmc.2017.04.014 | No relevant target | 4 |
| 22579619 | 10.1016/j.bmc.2012.04.014 | Unchecked | 2 |
| 22579619 | 10.1016/j.bmc.2012.04.014 | Canis familiaris | 2 |
| 22579619 | 10.1016/j.bmc.2012.04.014 | Rattus norvegicus | 1 |
| 28442261 | 10.1016/j.bmc.2017.04.014 | Unchecked | 1 |
| 28442261 | 10.1016/j.bmc.2017.04.014 | Rattus norvegicus | 1 |
| 28442261 | 10.1016/j.bmc.2017.04.014 | HepG2 | 1 |
| 28442261 | 10.1016/j.bmc.2017.04.014 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 28442261 | 10.1016/j.bmc.2017.04.014 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine