Compound Detail
CHEMBL212683
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 | CHEMBL212683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXRFJUZBWYLEJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.24
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.33 | 5.33 | 4670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 4670.0 | nM | 5.33 | Antiproliferative activity against human K562 cell line | 16789746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789746 | 10.1021/jm060355e | K562 | 1 |
| 16789746 | 10.1021/jm060355e | L1210 | 1 |
Data from ChEMBL 36 via Core Engine