Compound Detail
CHEMBL4071733
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Basic Information
| ChEMBL ID | CHEMBL4071733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISJCGZWMTKFNLJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.94
ALogP
7
HBA
2
HBD
82.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human Raji cells after 48 hrs by MTT assay | 28603988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28603988 | 10.1021/acs.jmedchem.7b00099 | Unchecked | 5 |
| 28603988 | 10.1021/acs.jmedchem.7b00099 | Raji | 1 |
Data from ChEMBL 36 via Core Engine