Compound Detail
CHEMBL5425590
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CN(C)c1ccc2c(c1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c([N+](=O)[O-])c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL5425590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUTHLLGXCXTIDM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
4.70
ALogP
7
HBA
0
HBD
74.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | IC50 | 6.17 | 6.145 | 670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | IC50 | = | 670.0 | nM | 6.17 | Cytotoxicity against PD-1 positive human Raji cells measured after 24 hrs by Cel... | 37465293 |
| Raji | IC50 | = | 760.0 | nM | 6.12 | 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