Compound Detail
CHEMBL3978718
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Basic Information
| ChEMBL ID | CHEMBL3978718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMFPUCXHTIXGFG-SNAWJCMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
1.97
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 24700.0 | nM | 4.61 | 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