Compound Detail
CHEMBL188679
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 | CHEMBL188679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFRKKKXLQITYIE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
1.77
ALogP
8
HBA
2
HBD
119.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-251 CHEMBL615022 | IC50 | 5.05 | 5.0 | 8980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-251 | IC50 | = | 8980.0 | nM | 5.05 | Antiproliferative activity against wild-type human U251 cells assessed as reduct... | 32828423 |
| U-251 | IC50 | = | 11140.0 | nM | 4.95 | Antiproliferative activity against human U251 cells overexpressing EPHA2 assesse... | 32828423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32828423 | 10.1016/j.bmc.2020.115656 | U-251 | 2 |
| 15317457 | 10.1021/jm049752k | PC-3 | 1 |
| 32828423 | 10.1016/j.bmc.2020.115656 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine