Compound Detail
CHEMBL4073975
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Basic Information
| ChEMBL ID | CHEMBL4073975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLFJVTROPUZOIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.9
MW (Da)
4.09
ALogP
7
HBA
0
HBD
94.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 11000.0 | nM | 4.96 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 28351590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28351590 | 10.1016/j.bmcl.2017.03.039 | A549 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | HCT-116 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | ZR-75-30 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine