Compound Detail
CHEMBL544168
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 | CHEMBL544168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRPQHDJNKCMZOV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192858 |
| Active Moiety | CHEMBL1192858 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
0.84
ALogP
8
HBA
4
HBD
124.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 76.0 | nM | 7.12 | Inhibitory activity against human colon adenocarcinoma cell line LoVo. | 7853345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7853345 | 10.1021/jm00003a015 | LoVo | 2 |
| 7853345 | 10.1021/jm00003a015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine