Compound Detail
CHEMBL5571961
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CN1C(=O)C2(c3cc(Cl)ccc31)C(C(=O)NC(C)(C)C)C1c3ccc([N+](=O)[O-])cc3C(=O)C1C2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5571961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVQJOXMENFQLEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.0
MW (Da)
5.39
ALogP
5
HBA
1
HBD
109.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eca-109/VCR CHEMBL6066735 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eca-109/VCR | IC50 | = | 6.3 | nM | 8.2 | Reversal of vincristine resistance in human Eca-109/VCR cells assessed as vincri... | 38784466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38784466 | 10.1039/d4md00136b | Eca-109/VCR | 3 |
Data from ChEMBL 36 via Core Engine