Compound Detail
CHEMBL561363
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 | CHEMBL561363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXEMWNLJOIOIIM-DDUZABMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.5
MW (Da)
4.61
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 19256529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19256529 | 10.1021/np800700e | KB | 1 |
| 19256529 | 10.1021/np800700e | MCF7 | 1 |
| 19256529 | 10.1021/np800700e | K562 | 1 |
| 19256529 | 10.1021/np800700e | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine