Compound Detail
CHEMBL5188249
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
CCCn1c(-c2cccc(C(F)(F)F)c2)nc2cc3nc(-c4cccc(C(F)(F)F)c4)n(CCC)c3cc21
Basic Information
| ChEMBL ID | CHEMBL5188249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHLUJISEEUWYQD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
8.58
ALogP
4
HBA
0
HBD
35.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of IL-6/JAK/STAT3 signalling pathway in HEK-blue IL-6 cells incubated... | 35504209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35504209 | 10.1016/j.bmc.2022.116757 | Unchecked | 2 |
| 35504209 | 10.1016/j.bmc.2022.116757 | HepG2 | 1 |
| 35504209 | 10.1016/j.bmc.2022.116757 | ECa-109 cell line | 1 |
Data from ChEMBL 36 via Core Engine