Compound Detail
CHEMBL160067
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 | CHEMBL160067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLAQLBSPTKQTEY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
198.7
MW (Da)
2.05
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 57000.0 | nM | 4.24 | Dose required to inhibit cell growth was determined against L1210 cell line of m... | 11262080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18617414 | 10.1016/j.bmc.2008.06.028 | MCF7 | 4 |
| 11262080 | 10.1021/jm0010264 | MDA-MB-231 | 3 |
| 11262080 | 10.1021/jm0010264 | Unchecked | 2 |
| 18617414 | 10.1016/j.bmc.2008.06.028 | M21 | 2 |
| 11262080 | 10.1021/jm0010264 | P388 | 1 |
| 11262080 | 10.1021/jm0010264 | CHO | 1 |
| 11262080 | 10.1021/jm0010264 | K562 | 1 |
| 11262080 | 10.1021/jm0010264 | L1210 | 1 |
| 11262080 | 10.1021/jm0010264 | HT-29 | 1 |
| 11262080 | 10.1021/jm0010264 | LoVo | 1 |
| 11262080 | 10.1021/jm0010264 | Glutathione reductase, mitochondrial | 1 |
| 18617414 | 10.1016/j.bmc.2008.06.028 | HT-29 | 1 |
| 18617414 | 10.1016/j.bmc.2008.06.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine