Compound Detail
CHEMBL5203372
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Basic Information
| ChEMBL ID | CHEMBL5203372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEPRROPYXRUNPE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
2.79
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H522 CHEMBL614387 | IC50 | 5.25 | 5.25 | 5650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H522 | IC50 | = | 5650.0 | nM | 5.25 | Cytotoxicity against human NCI-H522 cells assessed as reduction in cell viabilit... | 35984756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35984756 | 10.1021/acs.jmedchem.2c00909 | NCI-H522 | 3 |
| 35984756 | 10.1021/acs.jmedchem.2c00909 | HCT-116 | 1 |
| 35984756 | 10.1021/acs.jmedchem.2c00909 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine