Compound Detail
CHEMBL4554661
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Basic Information
| ChEMBL ID | CHEMBL4554661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARTOYYSOPRDAPG-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.29
ALogP
4
HBA
0
HBD
47.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 630.0 | nM | 6.2 | Cytotoxicity against human U937 cells assessed as reduction in cell viability me... | 30954427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30954427 | 10.1016/j.bmcl.2019.03.044 | U-937 | 2 |
Data from ChEMBL 36 via Core Engine