Compound Detail
CHEMBL4204255
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Basic Information
| ChEMBL ID | CHEMBL4204255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKYWLQYNSNJMOF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
3.98
ALogP
6
HBA
2
HBD
102.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UoC-B1 CHEMBL4513133 | EC50 | 4.56 | 4.56 | 27684.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UoC-B1 | EC50 | = | 27684.1 | nM | 4.56 | Antiproliferative activity against human UOCB1 cells after 72 hrs by CelTiter-Gl... | 29407975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407975 | 10.1016/j.ejmech.2018.01.004 | KOPN-8 | 1 |
| 29407975 | 10.1016/j.ejmech.2018.01.004 | SEM | 1 |
| 29407975 | 10.1016/j.ejmech.2018.01.004 | SUP-B15 | 1 |
| 29407975 | 10.1016/j.ejmech.2018.01.004 | UoC-B1 | 1 |
| 29407975 | 10.1016/j.ejmech.2018.01.004 | HepG2 | 1 |
| 29407975 | 10.1016/j.ejmech.2018.01.004 | BJ | 1 |
| 29407975 | 10.1016/j.ejmech.2018.01.004 | THLE-2 | 1 |
Data from ChEMBL 36 via Core Engine