Compound Detail
CHEMBL1938743
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
CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(O)c(Cl)c3)cn12
Basic Information
| ChEMBL ID | CHEMBL1938743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKIMFKAABCFAGF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
590.1
MW (Da)
7.17
ALogP
8
HBA
3
HBD
109.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 0.8 | nM | 9.1 | Antiinflammatory activity in LPS-stimulated human isolated PBMC assessed as inhi... | 21888439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21888439 | 10.1021/jm200677b | Liver microsomes | 2 |
| 21888439 | 10.1021/jm200677b | PBMC | 1 |
Data from ChEMBL 36 via Core Engine