Compound Detail
CHEMBL139018
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL139018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWHUHQXSTOODPE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
2.64
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 9000.0 | nM | 5.05 | In vitro inhibition of 14C amino-pyrine uptake was determined in isolated rabbit... | 1310742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1310742 | 10.1021/jm00081a004 | Oryctolagus cuniculus | 1 |
| 1310742 | 10.1021/jm00081a004 | Potassium-transporting ATPase | 1 |
| 1310742 | 10.1021/jm00081a004 | Rattus norvegicus | 1 |
| 1310742 | 10.1021/jm00081a004 | Unchecked | 1 |
| 1310742 | 10.1021/jm00081a004 | Canis familiaris | 1 |
| 1310742 | 10.1021/jm00081a004 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine