Compound Detail
CHEMBL594181
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 | CHEMBL594181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGUGYOFXEFZJMR-VQHVLOKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.63
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COLO 205 CHEMBL614561 | IC50 | 4.08 | 4.08 | 82500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COLO 205 | IC50 | = | 82500.0 | nM | 4.08 | Growth inhibition of human COLO205 cells after 48 hrs by MTT assay | 19875299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21988173 | 10.1021/jm200946h | RAW264.7 | 2 |
| 19875299 | 10.1016/j.bmc.2009.10.022 | COLO 205 | 1 |
| 19875299 | 10.1016/j.bmc.2009.10.022 | HepG2 | 1 |
| 19875299 | 10.1016/j.bmc.2009.10.022 | Peritoneal macrophage cell | 1 |
| 20705463 | 10.1016/j.bmcl.2010.07.094 | Helicobacter pylori | 1 |
Data from ChEMBL 36 via Core Engine