Compound Detail
CHEMBL3979030
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 | CHEMBL3979030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCRVDAYQYUXYAK-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.27
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 8500.0 | nM | 5.07 | Antiproliferative activity against human HCT116 cells assessed as reduction in c... | 31326241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27894872 | 10.1016/j.bmcl.2016.11.047 | Mycobacterium tuberculosis | 1 |
| 27894872 | 10.1016/j.bmcl.2016.11.047 | Escherichia coli | 1 |
| 27894872 | 10.1016/j.bmcl.2016.11.047 | Staphylococcus aureus | 1 |
| 31326241 | 10.1016/j.bmc.2019.07.008 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine