Compound Detail
CHEMBL5440311
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Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5440311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPZPTCUBZIHIPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
4.64
ALogP
6
HBA
0
HBD
71.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | IC50 | 5.82 | 5.625 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against PD-1 positive human Raji cells measured after 24 hrs by Cel... | 37465293 |
| Raji | IC50 | = | 3700.0 | nM | 5.43 | Cytotoxicity against PD-1 negative human Raji cells measured after 24 hrs by Cel... | 37465293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465293 | 10.1021/acsmedchemlett.3c00063 | ADMET | 2 |
| 37465293 | 10.1021/acsmedchemlett.3c00063 | Raji | 2 |
Data from ChEMBL 36 via Core Engine