Compound Detail
CHEMBL3931883
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 | CHEMBL3931883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQIJPNFAXAXJTQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.52
ALogP
6
HBA
1
HBD
102.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.21 | 4.21 | 62300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 62300.0 | nM | 4.21 | Cytotoxicity against mouse J774.1 cells assessed as decrease in cell viability a... | 27591009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27591009 | 10.1016/j.bmc.2016.08.025 | Unchecked | 4 |
| 27591009 | 10.1016/j.bmc.2016.08.025 | Outer membrane protein MIP | 2 |
| 27591009 | 10.1016/j.bmc.2016.08.025 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine