Compound Detail
CHEMBL199310
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 | CHEMBL199310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQJFDJIGUURRGW-UHFFFAOYSA-O |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.1
MW (Da)
-1.02
ALogP
3
HBA
5
HBD
139.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dictyostelium discoideum CHEMBL612373 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dictyostelium discoideum | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity to Dictyostelium discoideum | 16392806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392806 | 10.1021/jm0582625 | Hexokinase | 2 |
| 18789701 | 10.1016/j.bmc.2008.08.047 | Unchecked | 2 |
| 16392806 | 10.1021/jm0582625 | KB | 1 |
| 16392806 | 10.1021/jm0582625 | ADMET | 1 |
| 16392806 | 10.1021/jm0582625 | Dictyostelium discoideum | 1 |
| 24378711 | 10.1016/j.ejmech.2013.11.028 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine