Compound Detail
CHEMBL4207513
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4207513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCJOAIWENCAGKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.41
ALogP
4
HBA
3
HBD
100.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUP-B15 CHEMBL4296498 | EC50 | 5.04 | 5.04 | 9097.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUP-B15 | EC50 | = | 9097.8 | nM | 5.04 | Antiproliferative activity against human SUP-B15 cells after 72 hrs by CelTiter-... | 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