Compound Detail
CHEMBL4286444
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Basic Information
| ChEMBL ID | CHEMBL4286444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEJPIJRIQVWZCA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
4.59
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-87 MG CHEMBL614247 | IC50 | 4.57 | 4.57 | 27200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-87 MG | IC50 | = | 27200.0 | nM | 4.57 | Antiproliferative activity against human U87 cells by MTT assay | 30108937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108937 | 10.1039/C7MD00551B | U-87 MG | 1 |
| 30108937 | 10.1039/C7MD00551B | HT-1080 | 1 |
| 30108937 | 10.1039/C7MD00551B | Isocitrate dehydrogenase [NADP] cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine