Compound Detail
CHEMBL596441
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Basic Information
| ChEMBL ID | CHEMBL596441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGLFROJYUPHTDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
1.69
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 25300.0 | nM | 4.6 | Growth inhibition of human U937 cells assessed as [3H]5-methyl thymidine incorpo... | 19716307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19716307 | 10.1016/j.bmc.2009.08.002 | U-937 | 13 |
Data from ChEMBL 36 via Core Engine