Compound Detail
CHEMBL5395744
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Basic Information
| ChEMBL ID | CHEMBL5395744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDYGLDMFZGWJMX-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.46
ALogP
8
HBA
3
HBD
108.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Lung cancer cell line CHEMBL614790 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human Neuroblastoma cell assessed as bacteria... | 37731700 |
| Lung cancer cell line | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human Lung cancer cell line assessed as bacte... | 37731700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731700 | 10.1039/d3md00004d | Unchecked | 1 |
| 37731700 | 10.1039/d3md00004d | Lung cancer cell line | 1 |
Data from ChEMBL 36 via Core Engine