Compound Detail
CHEMBL2064036
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Basic Information
| ChEMBL ID | CHEMBL2064036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYHSRCYYCBNBKE-WLHGVMLRSA-N |
| Parent Compound | CHEMBL2079194 |
| Active Moiety | CHEMBL2079194 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.81
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 46.0 | nM | 7.34 | Inhibition of swine H+/K+-ATPase after 30 mins by colorimetry | 22512618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22512618 | 10.1021/jm300318t | Unchecked | 1 |
| 22512618 | 10.1021/jm300318t | No relevant target | 1 |
| 22512618 | 10.1021/jm300318t | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine