Compound Detail
CHEMBL430186
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Basic Information
| ChEMBL ID | CHEMBL430186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYOJEKMKWXYOEQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.89
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 4.32 | 4.23 | 48000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 48000.0 | nM | 4.32 | Antiproliferative activity against human U937 cells after 72 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 72000.0 | nM | 4.14 | Antiproliferative activity against human U937 cells after 48 hrs by WST-8 assay | 17158054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17158054 | 10.1016/j.bmc.2006.09.024 | U-937 | 3 |
Data from ChEMBL 36 via Core Engine