Compound Detail
CHEMBL560434
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 | CHEMBL560434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IADOCWRKQXCBQM-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.36
ALogP
8
HBA
1
HBD
82.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 500.0 | nM | 6.3 | Growth inhibition of human KB cells by methylene blue assay | 19507860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19507860 | 10.1021/jm801649y | KB | 1 |
Data from ChEMBL 36 via Core Engine