Compound Detail
CHEMBL1796642
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CCCN(CCC)c1cc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)[nH]c2cc1NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1796642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWXYBNRPPFNKFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
4.48
ALogP
6
HBA
2
HBD
106.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of H+/K+ATPase in pig gastric microsome assessed as liberation of ino... | 21684741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21684741 | 10.1016/j.bmcl.2011.05.080 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine