Compound Detail
CHEMBL4441007
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 | CHEMBL4441007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIPCKJDTVWPSKX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
3.54
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-251 CHEMBL615022 | EC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-251 | EC50 | = | 95000.0 | nM | 4.02 | Antiproliferative activity against human U251MG cells after 72 hrs by sulforhoda... | 30568753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30568753 | 10.1039/C8MD00436F | Unchecked | 3 |
| 30568753 | 10.1039/C8MD00436F | U-87 MG | 1 |
| 30568753 | 10.1039/C8MD00436F | U-251 | 1 |
Data from ChEMBL 36 via Core Engine