Compound Detail
CHEMBL5560534
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O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NC1CC(F)(F)C1
Basic Information
| ChEMBL ID | CHEMBL5560534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANIUSQAHHRJGLT-UPHRSURJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.3
MW (Da)
4.37
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Exportin-1 CHEMBL5661 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Jurkat CHEMBL397 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Exportin-1 | EC50 | = | 19.0 | nM | 7.72 | Inhibition of XPO1 in human Jurkat cells assessed as suppression of IL-2 express... | 39005064 |
| Jurkat | EC50 | = | 23.0 | nM | 7.64 | Cytotoxicity against human Jurkat cells incubated for 24 hrs by celltiter glo as... | 39005064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39005064 | 10.1021/acs.jmedchem.4c00754 | Exportin-1 | 1 |
| 39005064 | 10.1021/acs.jmedchem.4c00754 | Jurkat | 1 |
| 39005064 | 10.1021/acs.jmedchem.4c00754 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine