Compound Detail
CHEMBL3219767
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Basic Information
| ChEMBL ID | CHEMBL3219767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEUBIHGFPBGDRO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
4.44
ALogP
3
HBA
0
HBD
28.5
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 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.27 | 4.27 | 53800.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.22 | 4.22 | 60200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 53800.0 | nM | 4.27 | Antiproliferative activity against human HT-29 cells by MTS assay | - |
| MDA-MB-231 | IC50 | = | 60200.0 | nM | 4.22 | Antiproliferative activity against human MDA-MB-231 cells by MTS assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00077J | MDA-MB-231 | 1 |
| - | 10.1039/C3MD00077J | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine