Compound Detail
CHEMBL3822874
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Basic Information
| ChEMBL ID | CHEMBL3822874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVISODUPXNNNJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
1.69
ALogP
9
HBA
2
HBD
111.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | EC50 | 5.17 | 5.17 | 6720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | EC50 | = | 6720.0 | nM | 5.17 | Antiproliferative activity against human MDA-MB-231 cells assessed as reduction ... | 27115835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27115835 | 10.1021/acs.jmedchem.6b00065 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine